ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C101H112N20 — CID 159630367

IUPACethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC.CC.CC.CC.Cc1cncc(-c2cc(NCCC3=CCc4ccccc43)n3ncc(C)c3n2)c1.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-c3cccnc3)nc12.Cc1cnn2c(NC3CCC4=C(C=CC4)C3)cc(-c3cccnc3)nc12.Cc1cnn2c(NCCC3=CCc4ccccc43)cc(-c3cccnc3)nc12
InChIInChI=1S/C25H23N5.C24H23N5.C23H21N5.C21H21N5.4C2H6/c1-16-14-27-30-24(13-23(29-25(16)30)19-6-4-10-26-15-19)28-20-9-8-18-11-17-5-2-3-7-21(17)22(18)12-20;1-16-11-20(15-25-13-16)22-12-23(29-24(28-22)17(2)14-27-29)26-10-9-19-8-7-18-5-3-4-6-21(18)19;1-16-14-26-28-22(13-21(27-23(16)28)19-6-4-11-24-15-19)25-12-10-18-9-8-17-5-2-3-7-20(17)18;1-14-12-23-26-20(24-18-8-7-15-4-2-5-16(15)10-18)11-19(25-21(14)26)17-6-3-9-22-13-17;4*1-2/h2-7,10,13-15,20,28H,8-9,11-12H2,1H3;3-6,8,11-15,26H,7,9-10H2,1-2H3;2-7,9,11,13-15,25H,8,10,12H2,1H3;2-3,5-6,9,11-13,18,24H,4,7-8,10H2,1H3;4*1-2H3
InChIKeyMPASKYMUCJOUJC-UHFFFAOYSA-N
MW1606.15 g/mol
LogP22.89
Rot. Bonds16

About ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159630367) has the molecular formula C101H112N20 and a molecular weight of 1606.15 g/mol. Its IUPAC name is ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Nameethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159630367
Molecular FormulaC101H112N20
Molecular Weight1606.15 g/mol
Exact Mass1604.94
IUPAC Nameethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC.CC.CC.CC.Cc1cncc(-c2cc(NCCC3=CCc4ccccc43)n3ncc(C)c3n2)c1.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-c3cccnc3)nc12.Cc1cnn2c(NC3CCC4=C(C=CC4)C3)cc(-c3cccnc3)nc12.Cc1cnn2c(NCCC3=CCc4ccccc43)cc(-c3cccnc3)nc12
InChIInChI=1S/C25H23N5.C24H23N5.C23H21N5.C21H21N5.4C2H6/c1-16-14-27-30-24(13-23(29-25(16)30)19-6-4-10-26-15-19)28-20-9-8-18-11-17-5-2-3-7-21(17)22(18)12-20;1-16-11-20(15-25-13-16)22-12-23(29-24(28-22)17(2)14-27-29)26-10-9-19-8-7-18-5-3-4-6-21(18)19;1-16-14-26-28-22(13-21(27-23(16)28)19-6-4-11-24-15-19)25-12-10-18-9-8-17-5-2-3-7-20(17)18;1-14-12-23-26-20(24-18-8-7-15-4-2-5-16(15)10-18)11-19(25-21(14)26)17-6-3-9-22-13-17;4*1-2/h2-7,10,13-15,20,28H,8-9,11-12H2,1H3;3-6,8,11-15,26H,7,9-10H2,1-2H3;2-7,9,11,13-15,25H,8,10,12H2,1H3;2-3,5-6,9,11-13,18,24H,4,7-8,10H2,1H3;4*1-2H3
InChIKeyMPASKYMUCJOUJC-UHFFFAOYSA-N
XLogP22.89
TPSA220.44 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001606.15
LogP ≤ 522.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
kinase inhibitor 2 [PMID: 30199702]
CID 134813913
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
(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
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301
1-[(4-aminocyclohexyl)methyl]-N-(3-phenylpropyl)-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 68212505
N2,N4-dicyclopentyl-8-[2-(cyclopentylamino)-4-pyridinyl]-7-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 9828137
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9867790
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224162

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159630367) is ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC.CC.CC.CC.Cc1cncc(-c2cc(NCCC3=CCc4ccccc43)n3ncc(C)c3n2)c1.Cc1cnn2c(NC3CCC4=C(C3)c3ccccc3C4)cc(-c3cccnc3)nc12.Cc1cnn2c(NC3CCC4=C(C=CC4)C3)cc(-c3cccnc3)nc12.Cc1cnn2c(NCCC3=CCc4ccccc43)cc(-c3cccnc3)nc12.
What is the InChIKey of ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MPASKYMUCJOUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5.C24H23N5.C23H21N5.C21H21N5.4C2H6/c1-16-14-27-30-24(13-23(29-25(16)30)19-6-4-10-26-15-19)28-20-9-8-18-11-17-5-2-3-7-21(17)22(18)12-20;1-16-11-20(15-25-13-16)22-12-23(29-24(28-22)17(2)14-27-29)26-10-9-19-8-7-18-5-3-4-6-21(18)19;1-16-14-26-28-22(13-21(27-23(16)28)19-6-4-11-24-15-19)25-12-10-18-9-8-17-5-2-3-7-20(17)18;1-14-12-23-26-20(24-18-8-7-15-4-2-5-16(15)10-18)11-19(25-21(14)26)17-6-3-9-22-13-17;4*1-2/h2-7,10,13-15,20,28H,8-9,11-12H2,1H3;3-6,8,11-15,26H,7,9-10H2,1-2H3;2-7,9,11,13-15,25H,8,10,12H2,1H3;2-3,5-6,9,11-13,18,24H,4,7-8,10H2,1H3;4*1-2H3.
What are the key properties of ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1606.15 g/mol, XLogP of 22.89, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159630367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).