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

C144H195N29O — CID 164969497

IUPAC5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3cccn3)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3ccnc3)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3cnc4ccccc43)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3cncn3)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(C3CCOC3)nc3ccnn23)CC1
InChIInChI=1S/C26H22N6.C23H24N4O.2C22H20N6.C21H19N7.15C2H6/c1-2-6-20-17(5-1)13-18-9-10-19(14-21(18)20)29-26-15-25(30-24-11-12-28-32(24)26)31-16-27-22-7-3-4-8-23(22)31;1-2-4-19-15(3-1)11-16-5-6-18(12-20(16)19)25-23-13-21(17-8-10-28-14-17)26-22-7-9-24-27(22)23;1-2-5-18-15(4-1)12-16-6-7-17(13-19(16)18)25-22-14-21(27-11-3-9-23-27)26-20-8-10-24-28(20)22;1-2-4-18-15(3-1)11-16-5-6-17(12-19(16)18)25-22-13-21(27-10-9-23-14-27)26-20-7-8-24-28(20)22;1-2-4-17-14(3-1)9-15-5-6-16(10-18(15)17)25-21-11-20(27-13-22-12-24-27)26-19-7-8-23-28(19)21;15*1-2/h1-8,11-12,15-16,19,29H,9-10,13-14H2;1-4,7,9,13,17-18,25H,5-6,8,10-12,14H2;1-5,8-11,14,17,25H,6-7,12-13H2;1-4,7-10,13-14,17,25H,5-6,11-12H2;1-4,7-8,11-13,16,25H,5-6,9-10H2;15*1-2H3
InChIKeyCXSQZMXFTRZYBI-UHFFFAOYSA-N
MW2348.35 g/mol
LogP35.71
Rot. Bonds15

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

5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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 164969497) has the molecular formula C144H195N29O and a molecular weight of 2348.35 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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 Name5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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 CID164969497
Molecular FormulaC144H195N29O
Molecular Weight2348.35 g/mol
Exact Mass2346.61
IUPAC Name5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3cccn3)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3ccnc3)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3cnc4ccccc43)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3cncn3)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(C3CCOC3)nc3ccnn23)CC1
InChIInChI=1S/C26H22N6.C23H24N4O.2C22H20N6.C21H19N7.15C2H6/c1-2-6-20-17(5-1)13-18-9-10-19(14-21(18)20)29-26-15-25(30-24-11-12-28-32(24)26)31-16-27-22-7-3-4-8-23(22)31;1-2-4-19-15(3-1)11-16-5-6-18(12-20(16)19)25-23-13-21(17-8-10-28-14-17)26-22-7-9-24-27(22)23;1-2-5-18-15(4-1)12-16-6-7-17(13-19(16)18)25-22-14-21(27-11-3-9-23-27)26-20-8-10-24-28(20)22;1-2-4-18-15(3-1)11-16-5-6-17(12-19(16)18)25-22-13-21(27-10-9-23-14-27)26-20-7-8-24-28(20)22;1-2-4-17-14(3-1)9-15-5-6-16(10-18(15)17)25-21-11-20(27-13-22-12-24-27)26-19-7-8-23-28(19)21;15*1-2/h1-8,11-12,15-16,19,29H,9-10,13-14H2;1-4,7,9,13,17-18,25H,5-6,8,10-12,14H2;1-5,8-11,14,17,25H,6-7,12-13H2;1-4,7-10,13-14,17,25H,5-6,11-12H2;1-4,7-8,11-13,16,25H,5-6,9-10H2;15*1-2H3
InChIKeyCXSQZMXFTRZYBI-UHFFFAOYSA-N
XLogP35.71
TPSA304.50 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002348.35
LogP ≤ 535.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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 5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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 5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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 164969497) is 5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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 5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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 5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3cccn3)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3ccnc3)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3cnc4ccccc43)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(-n3cncn3)nc3ccnn23)CC1.c1ccc2c(c1)CC1=C2CC(Nc2cc(C3CCOC3)nc3ccnn23)CC1.
What is the InChIKey of 5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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 CXSQZMXFTRZYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6.C23H24N4O.2C22H20N6.C21H19N7.15C2H6/c1-2-6-20-17(5-1)13-18-9-10-19(14-21(18)20)29-26-15-25(30-24-11-12-28-32(24)26)31-16-27-22-7-3-4-8-23(22)31;1-2-4-19-15(3-1)11-16-5-6-18(12-20(16)19)25-23-13-21(17-8-10-28-14-17)26-22-7-9-24-27(22)23;1-2-5-18-15(4-1)12-16-6-7-17(13-19(16)18)25-22-14-21(27-11-3-9-23-27)26-20-8-10-24-28(20)22;1-2-4-18-15(3-1)11-16-5-6-17(12-19(16)18)25-22-13-21(27-10-9-23-14-27)26-20-7-8-24-28(20)22;1-2-4-17-14(3-1)9-15-5-6-16(10-18(15)17)25-21-11-20(27-13-22-12-24-27)26-19-7-8-23-28(19)21;15*1-2/h1-8,11-12,15-16,19,29H,9-10,13-14H2;1-4,7,9,13,17-18,25H,5-6,8,10-12,14H2;1-5,8-11,14,17,25H,6-7,12-13H2;1-4,7-10,13-14,17,25H,5-6,11-12H2;1-4,7-8,11-13,16,25H,5-6,9-10H2;15*1-2H3.
What are the key properties of 5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)-5-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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 2348.35 g/mol, XLogP of 35.71, 15 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;5-imidazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(oxolan-3-yl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyrazol-1-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;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 164969497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).