1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

C27H31N9O — CID 146392355

IUPAC1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c(-c2cnn(C)c2)n1
InChIInChI=1S/C27H31N9O/c1-15-17(4-7-24(29-15)35-11-18-8-19(18)12-35)13-36-14-22(25(33-36)20-9-28-34(3)10-20)27(37)30-23-6-5-21-16(2)31-32-26(21)23/h4,7,9-10,14,18-19,23H,5-6,8,11-13H2,1-3H3,(H,30,37)(H,31,32)/t18?,19?,23-/m1/s1
InChIKeyBWVGCEWAJKXZQE-MTNXOHHFSA-N
MW497.61 g/mol
LogP2.94
Rot. Bonds6

About 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (PubChem CID 146392355) has the molecular formula C27H31N9O and a molecular weight of 497.61 g/mol. Its IUPAC name is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
PubChem CID146392355
Molecular FormulaC27H31N9O
Molecular Weight497.61 g/mol
Exact Mass497.27
IUPAC Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c(-c2cnn(C)c2)n1
InChIInChI=1S/C27H31N9O/c1-15-17(4-7-24(29-15)35-11-18-8-19(18)12-35)13-36-14-22(25(33-36)20-9-28-34(3)10-20)27(37)30-23-6-5-21-16(2)31-32-26(21)23/h4,7,9-10,14,18-19,23H,5-6,8,11-13H2,1-3H3,(H,30,37)(H,31,32)/t18?,19?,23-/m1/s1
InChIKeyBWVGCEWAJKXZQE-MTNXOHHFSA-N
XLogP2.94
TPSA109.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.61
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 146371949
1-[[6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
CID 153404082
methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate
CID 146392251
1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-3-methyl-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 146392487
1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
CID 153404058
5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide
CID 146400551
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
CID 146400816
1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 146371888
1-[[2-methyl-6-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)pyrazole-4-carboxamide
CID 153404030
1-[[2-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]imidazole-4-carboxamide
CID 154963999
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 153453467
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide
CID 161125921

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (CID 146392355) is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is Cc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c(-c2cnn(C)c2)n1.
What is the InChIKey of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The InChIKey is BWVGCEWAJKXZQE-MTNXOHHFSA-N. The full InChI is InChI=1S/C27H31N9O/c1-15-17(4-7-24(29-15)35-11-18-8-19(18)12-35)13-36-14-22(25(33-36)20-9-28-34(3)10-20)27(37)30-23-6-5-21-16(2)31-32-26(21)23/h4,7,9-10,14,18-19,23H,5-6,8,11-13H2,1-3H3,(H,30,37)(H,31,32)/t18?,19?,23-/m1/s1.
What are the key properties of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide has a molecular weight of 497.61 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 146392355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).