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

C24H29N7O — CID 146371955

IUPAC1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCc1nc(N2C[C@@H]3C(C)[C@@H]3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)cn1
InChIInChI=1S/C24H29N7O/c1-13-19-11-30(12-20(13)19)22-7-4-16(14(2)26-22)9-31-10-17(8-25-31)24(32)27-21-6-5-18-15(3)28-29-23(18)21/h4,7-8,10,13,19-21H,5-6,9,11-12H2,1-3H3,(H,27,32)(H,28,29)/t13?,19-,20+,21-/m1/s1
InChIKeyJLHRRCOZJQGRSX-HLLNTOPNSA-N
MW431.54 g/mol
LogP2.79
Rot. Bonds5

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

1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (PubChem CID 146371955) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
PubChem CID146371955
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCc1nc(N2C[C@@H]3C(C)[C@@H]3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)cn1
InChIInChI=1S/C24H29N7O/c1-13-19-11-30(12-20(13)19)22-7-4-16(14(2)26-22)9-31-10-17(8-25-31)24(32)27-21-6-5-18-15(3)28-29-23(18)21/h4,7-8,10,13,19-21H,5-6,9,11-12H2,1-3H3,(H,27,32)(H,28,29)/t13?,19-,20+,21-/m1/s1
InChIKeyJLHRRCOZJQGRSX-HLLNTOPNSA-N
XLogP2.79
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (CID 146371955) is 1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is Cc1nc(N2C[C@@H]3C(C)[C@@H]3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)cn1.
What is the InChIKey of 1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The InChIKey is JLHRRCOZJQGRSX-HLLNTOPNSA-N. The full InChI is InChI=1S/C24H29N7O/c1-13-19-11-30(12-20(13)19)22-7-4-16(14(2)26-22)9-31-10-17(8-25-31)24(32)27-21-6-5-18-15(3)28-29-23(18)21/h4,7-8,10,13,19-21H,5-6,9,11-12H2,1-3H3,(H,27,32)(H,28,29)/t13?,19-,20+,21-/m1/s1.
What are the key properties of 1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 146371955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).