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

C24H29N7O — CID 146392487

IUPAC1-[[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
SMILESCc1nc(N2CC3(CC3)C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c(C)n1
InChIInChI=1S/C24H29N7O/c1-14-17(4-7-21(25-14)30-12-24(13-30)8-9-24)10-31-11-19(16(3)29-31)23(32)26-20-6-5-18-15(2)27-28-22(18)20/h4,7,11,20H,5-6,8-10,12-13H2,1-3H3,(H,26,32)(H,27,28)/t20-/m1/s1
InChIKeyAWUYRXPFVIXZMY-HXUWFJFHSA-N
MW431.54 g/mol
LogP2.99
Rot. Bonds5

About 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

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 (PubChem CID 146392487) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[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
PubChem CID146392487
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name1-[[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
SMILESCc1nc(N2CC3(CC3)C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c(C)n1
InChIInChI=1S/C24H29N7O/c1-14-17(4-7-21(25-14)30-12-24(13-30)8-9-24)10-31-11-19(16(3)29-31)23(32)26-20-6-5-18-15(2)27-28-22(18)20/h4,7,11,20H,5-6,8-10,12-13H2,1-3H3,(H,26,32)(H,27,28)/t20-/m1/s1
InChIKeyAWUYRXPFVIXZMY-HXUWFJFHSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(N2CC3(CC3)C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c(C)n1.
What is the InChIKey of 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?
The InChIKey is AWUYRXPFVIXZMY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N7O/c1-14-17(4-7-21(25-14)30-12-24(13-30)8-9-24)10-31-11-19(16(3)29-31)23(32)26-20-6-5-18-15(2)27-28-22(18)20/h4,7,11,20H,5-6,8-10,12-13H2,1-3H3,(H,26,32)(H,27,28)/t20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 431.54 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146392487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).