ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C128H151N27O2 — CID 165007815

IUPACethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC.CC.CC.CC.CC.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-n3cccn3)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-n3ccnc3C)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-n3cncn3)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(C3CCCOC3)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(C3CCOC3)nc12
InChIInChI=1S/C25H28N4O.C24H24N6.C24H26N4O.C23H22N6.C22H21N7.5C2H6/c1-16-14-26-29-24(13-23(28-25(16)29)19-6-4-10-30-15-19)27-20-9-8-18-11-17-5-2-3-7-21(17)22(18)12-20;1-15-14-26-30-23(13-22(28-24(15)30)29-10-9-25-16(29)2)27-19-8-7-18-11-17-5-3-4-6-20(17)21(18)12-19;1-15-13-25-28-23(12-22(27-24(15)28)18-8-9-29-14-18)26-19-7-6-17-10-16-4-2-3-5-20(16)21(17)11-19;1-15-14-25-29-22(13-21(27-23(15)29)28-10-4-9-24-28)26-18-8-7-17-11-16-5-2-3-6-19(16)20(17)12-18;1-14-11-24-29-21(10-20(27-22(14)29)28-13-23-12-25-28)26-17-7-6-16-8-15-4-2-3-5-18(15)19(16)9-17;5*1-2/h2-3,5,7,13-14,19-20,27H,4,6,8-12,15H2,1H3;3-6,9-10,13-14,19,27H,7-8,11-12H2,1-2H3;2-5,12-13,18-19,26H,6-11,14H2,1H3;2-6,9-10,13-14,18,26H,7-8,11-12H2,1H3;2-5,10-13,17,26H,6-9H2,1H3;5*1-2H3
InChIKeyJFVGZHUTCAPTJY-UHFFFAOYSA-N
MW2099.80 g/mol
LogP26.85
Rot. Bonds15

About ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine

ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 165007815) has the molecular formula C128H151N27O2 and a molecular weight of 2099.80 g/mol. Its IUPAC name is ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Nameethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID165007815
Molecular FormulaC128H151N27O2
Molecular Weight2099.80 g/mol
Exact Mass2098.25
IUPAC Nameethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC.CC.CC.CC.CC.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-n3cccn3)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-n3ccnc3C)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-n3cncn3)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(C3CCCOC3)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(C3CCOC3)nc12
InChIInChI=1S/C25H28N4O.C24H24N6.C24H26N4O.C23H22N6.C22H21N7.5C2H6/c1-16-14-26-29-24(13-23(28-25(16)29)19-6-4-10-30-15-19)27-20-9-8-18-11-17-5-2-3-7-21(17)22(18)12-20;1-15-14-26-30-23(13-22(28-24(15)30)29-10-9-25-16(29)2)27-19-8-7-18-11-17-5-3-4-6-20(17)21(18)12-19;1-15-13-25-28-23(12-22(27-24(15)28)18-8-9-29-14-18)26-19-7-6-17-10-16-4-2-3-5-20(16)21(17)11-19;1-15-14-25-29-22(13-21(27-23(15)29)28-10-4-9-24-28)26-18-8-7-17-11-16-5-2-3-6-19(16)20(17)12-18;1-14-11-24-29-21(10-20(27-22(14)29)28-13-23-12-25-28)26-17-7-6-16-8-15-4-2-3-5-18(15)19(16)9-17;5*1-2/h2-3,5,7,13-14,19-20,27H,4,6,8-12,15H2,1H3;3-6,9-10,13-14,19,27H,7-8,11-12H2,1-2H3;2-5,12-13,18-19,26H,6-11,14H2,1H3;2-6,9-10,13-14,18,26H,7-8,11-12H2,1H3;2-5,10-13,17,26H,6-9H2,1H3;5*1-2H3
InChIKeyJFVGZHUTCAPTJY-UHFFFAOYSA-N
XLogP26.85
TPSA295.91 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002099.80
LogP ≤ 526.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 165007815) is ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC.CC.CC.CC.CC.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-n3cccn3)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-n3ccnc3C)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-n3cncn3)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(C3CCCOC3)nc12.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(C3CCOC3)nc12.
What is the InChIKey of ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JFVGZHUTCAPTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O.C24H24N6.C24H26N4O.C23H22N6.C22H21N7.5C2H6/c1-16-14-26-29-24(13-23(28-25(16)29)19-6-4-10-30-15-19)27-20-9-8-18-11-17-5-2-3-7-21(17)22(18)12-20;1-15-14-26-30-23(13-22(28-24(15)30)29-10-9-25-16(29)2)27-19-8-7-18-11-17-5-3-4-6-20(17)21(18)12-19;1-15-13-25-28-23(12-22(27-24(15)28)18-8-9-29-14-18)26-19-7-6-17-10-16-4-2-3-5-20(16)21(17)11-19;1-15-14-25-29-22(13-21(27-23(15)29)28-10-4-9-24-28)26-18-8-7-17-11-16-5-2-3-6-19(16)20(17)12-18;1-14-11-24-29-21(10-20(27-22(14)29)28-13-23-12-25-28)26-17-7-6-16-8-15-4-2-3-5-18(15)19(16)9-17;5*1-2/h2-3,5,7,13-14,19-20,27H,4,6,8-12,15H2,1H3;3-6,9-10,13-14,19,27H,7-8,11-12H2,1-2H3;2-5,12-13,18-19,26H,6-11,14H2,1H3;2-6,9-10,13-14,18,26H,7-8,11-12H2,1H3;2-5,10-13,17,26H,6-9H2,1H3;5*1-2H3.
What are the key properties of ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2099.80 g/mol, XLogP of 26.85, 15 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-(2-methylimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 165007815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).