ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine

C85H112N12 — CID 157129879

IUPACethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESC1=C(Cc2cc(-c3cccnc3)nc3ccnn23)c2ccccc2C1.C1=CC2=C(C1)CCC(Cc1cc(-c3cccnc3)nc3ccnn13)C2.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cncc(-c2cc(CC3CCC4=C(C3)c3ccccc3C4)n3nccc3n2)c1
InChIInChI=1S/C25H22N4.C21H20N4.C21H16N4.9C2H6/c1-2-6-22-18(4-1)14-19-8-7-17(13-23(19)22)12-21-15-24(20-5-3-10-26-16-20)28-25-9-11-27-29(21)25;1-3-16-7-6-15(11-17(16)4-1)12-19-13-20(18-5-2-9-22-14-18)24-21-8-10-23-25(19)21;1-2-6-19-15(4-1)7-8-16(19)12-18-13-20(17-5-3-10-22-14-17)24-21-9-11-23-25(18)21;9*1-2/h1-6,9-11,15-17H,7-8,12-14H2;1-2,4-5,8-10,13-15H,3,6-7,11-12H2;1-6,8-11,13-14H,7,12H2;9*1-2H3
InChIKeyAIYBEMRWBJKFNQ-UHFFFAOYSA-N
MW1301.91 g/mol
LogP22.74
Rot. Bonds9

About ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine

ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 157129879) has the molecular formula C85H112N12 and a molecular weight of 1301.91 g/mol. Its IUPAC name is ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Nameethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID157129879
Molecular FormulaC85H112N12
Molecular Weight1301.91 g/mol
Exact Mass1300.91
IUPAC Nameethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESC1=C(Cc2cc(-c3cccnc3)nc3ccnn23)c2ccccc2C1.C1=CC2=C(C1)CCC(Cc1cc(-c3cccnc3)nc3ccnn13)C2.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cncc(-c2cc(CC3CCC4=C(C3)c3ccccc3C4)n3nccc3n2)c1
InChIInChI=1S/C25H22N4.C21H20N4.C21H16N4.9C2H6/c1-2-6-22-18(4-1)14-19-8-7-17(13-23(19)22)12-21-15-24(20-5-3-10-26-16-20)28-25-9-11-27-29(21)25;1-3-16-7-6-15(11-17(16)4-1)12-19-13-20(18-5-2-9-22-14-18)24-21-8-10-23-25(19)21;1-2-6-19-15(4-1)7-8-16(19)12-18-13-20(17-5-3-10-22-14-17)24-21-9-11-23-25(18)21;9*1-2/h1-6,9-11,15-17H,7-8,12-14H2;1-2,4-5,8-10,13-15H,3,6-7,11-12H2;1-6,8-11,13-14H,7,12H2;9*1-2H3
InChIKeyAIYBEMRWBJKFNQ-UHFFFAOYSA-N
XLogP22.74
TPSA129.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.91
LogP ≤ 522.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

PF-04981517
CID 71315139
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968
1-[(4-aminocyclohexyl)methyl]-N-(3-phenylpropyl)-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 68212505
1-Phenyl-4-[4-[phenyl(3-pyridyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011480
1-Phenyl-4-[4-[phenyl(4-pyridyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011481
1-Phenyl-4-[4-[phenyl(2-pyridyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011482
2-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidine
CID 11693440
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224162
3-(1-methyl-1H-pyrazol-4-yl)-6-phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224163

Frequently Asked Questions

What is the IUPAC name of ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine (CID 157129879) is ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine is C1=C(Cc2cc(-c3cccnc3)nc3ccnn23)c2ccccc2C1.C1=CC2=C(C1)CCC(Cc1cc(-c3cccnc3)nc3ccnn13)C2.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cncc(-c2cc(CC3CCC4=C(C3)c3ccccc3C4)n3nccc3n2)c1.
What is the InChIKey of ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AIYBEMRWBJKFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4.C21H20N4.C21H16N4.9C2H6/c1-2-6-22-18(4-1)14-19-8-7-17(13-23(19)22)12-21-15-24(20-5-3-10-26-16-20)28-25-9-11-27-29(21)25;1-3-16-7-6-15(11-17(16)4-1)12-19-13-20(18-5-2-9-22-14-18)24-21-8-10-23-25(19)21;1-2-6-19-15(4-1)7-8-16(19)12-18-13-20(17-5-3-10-22-14-17)24-21-9-11-23-25(18)21;9*1-2/h1-6,9-11,15-17H,7-8,12-14H2;1-2,4-5,8-10,13-15H,3,6-7,11-12H2;1-6,8-11,13-14H,7,12H2;9*1-2H3.
What are the key properties of ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine?
ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 1301.91 g/mol, XLogP of 22.74, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(3H-inden-1-ylmethyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine;5-pyridin-3-yl-7-(4,5,6,7-tetrahydro-1H-inden-5-ylmethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 157129879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).