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

C23H29N7O — CID 154963999

IUPAC1-[[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
SMILESCc1nc(N2CCC(C)C2)ccc1Cn1cnc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c1
InChIInChI=1S/C23H29N7O/c1-14-8-9-30(10-14)21-7-4-17(15(2)25-21)11-29-12-20(24-13-29)23(31)26-19-6-5-18-16(3)27-28-22(18)19/h4,7,12-14,19H,5-6,8-11H2,1-3H3,(H,26,31)(H,27,28)/t14?,19-/m1/s1
InChIKeySQSZIAZGOOIYDG-JANGERMGSA-N
MW419.53 g/mol
LogP2.93
Rot. Bonds5

About 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

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 (PubChem CID 154963999) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[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
PubChem CID154963999
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name1-[[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
SMILESCc1nc(N2CCC(C)C2)ccc1Cn1cnc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c1
InChIInChI=1S/C23H29N7O/c1-14-8-9-30(10-14)21-7-4-17(15(2)25-21)11-29-12-20(24-13-29)23(31)26-19-6-5-18-16(3)27-28-22(18)19/h4,7,12-14,19H,5-6,8-11H2,1-3H3,(H,26,31)(H,27,28)/t14?,19-/m1/s1
InChIKeySQSZIAZGOOIYDG-JANGERMGSA-N
XLogP2.93
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(N2CCC(C)C2)ccc1Cn1cnc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c1.
What is the InChIKey of 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?
The InChIKey is SQSZIAZGOOIYDG-JANGERMGSA-N. The full InChI is InChI=1S/C23H29N7O/c1-14-8-9-30(10-14)21-7-4-17(15(2)25-21)11-29-12-20(24-13-29)23(31)26-19-6-5-18-16(3)27-28-22(18)19/h4,7,12-14,19H,5-6,8-11H2,1-3H3,(H,26,31)(H,27,28)/t14?,19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 419.53 g/mol, XLogP of 2.93, 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-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]imidazole-4-carboxamide is sourced from PubChem (CID 154963999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).