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

C24H29N7O2 — CID 153404058

IUPAC1-[[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
SMILESCc1nc(N2C[C@@H]3C(CO)[C@@H]3C2)ccc1Cn1cc(C(=O)NC2CCc3c2n[nH]c3C)cn1
InChIInChI=1S/C24H29N7O2/c1-13-15(3-6-22(26-13)30-10-18-19(11-30)20(18)12-32)8-31-9-16(7-25-31)24(33)27-21-5-4-17-14(2)28-29-23(17)21/h3,6-7,9,18-21,32H,4-5,8,10-12H2,1-2H3,(H,27,33)(H,28,29)/t18-,19+,20?,21?
InChIKeyHRCVMBXBVZAEJV-WHSGIHJSSA-N
MW447.54 g/mol
LogP1.76
Rot. Bonds6

About 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

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 (PubChem CID 153404058) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[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
PubChem CID153404058
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name1-[[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
SMILESCc1nc(N2C[C@@H]3C(CO)[C@@H]3C2)ccc1Cn1cc(C(=O)NC2CCc3c2n[nH]c3C)cn1
InChIInChI=1S/C24H29N7O2/c1-13-15(3-6-22(26-13)30-10-18-19(11-30)20(18)12-32)8-31-9-16(7-25-31)24(33)27-21-5-4-17-14(2)28-29-23(17)21/h3,6-7,9,18-21,32H,4-5,8,10-12H2,1-2H3,(H,27,33)(H,28,29)/t18-,19+,20?,21?
InChIKeyHRCVMBXBVZAEJV-WHSGIHJSSA-N
XLogP1.76
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(N2C[C@@H]3C(CO)[C@@H]3C2)ccc1Cn1cc(C(=O)NC2CCc3c2n[nH]c3C)cn1.
What is the InChIKey of 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?
The InChIKey is HRCVMBXBVZAEJV-WHSGIHJSSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-13-15(3-6-22(26-13)30-10-18-19(11-30)20(18)12-32)8-31-9-16(7-25-31)24(33)27-21-5-4-17-14(2)28-29-23(17)21/h3,6-7,9,18-21,32H,4-5,8,10-12H2,1-2H3,(H,27,33)(H,28,29)/t18-,19+,20?,21?.
What are the key properties of 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?
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 has a molecular weight of 447.54 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153404058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).