1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide

C21H22N8O — CID 156661083

IUPAC1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide
SMILESCc1n[nH]c2c1CC[C@H]2NC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
InChIInChI=1S/C21H22N8O/c1-12-16-5-6-17(20(16)26-24-12)23-21(30)18-11-29(27-25-18)10-15-9-28-8-14(13-2-3-13)4-7-19(28)22-15/h4,7-9,11,13,17H,2-3,5-6,10H2,1H3,(H,23,30)(H,24,26)/t17-/m1/s1
InChIKeyZAIVNTMRFSDNEN-QGZVFWFLSA-N
MW402.46 g/mol
LogP2.30
Rot. Bonds5

About 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide (PubChem CID 156661083) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide
PubChem CID156661083
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide
SMILESCc1n[nH]c2c1CC[C@H]2NC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
InChIInChI=1S/C21H22N8O/c1-12-16-5-6-17(20(16)26-24-12)23-21(30)18-11-29(27-25-18)10-15-9-28-8-14(13-2-3-13)4-7-19(28)22-15/h4,7-9,11,13,17H,2-3,5-6,10H2,1H3,(H,23,30)(H,24,26)/t17-/m1/s1
InChIKeyZAIVNTMRFSDNEN-QGZVFWFLSA-N
XLogP2.30
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide?
The IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide (CID 156661083) is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide is Cc1n[nH]c2c1CC[C@H]2NC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.
What is the InChIKey of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide?
The InChIKey is ZAIVNTMRFSDNEN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N8O/c1-12-16-5-6-17(20(16)26-24-12)23-21(30)18-11-29(27-25-18)10-15-9-28-8-14(13-2-3-13)4-7-19(28)22-15/h4,7-9,11,13,17H,2-3,5-6,10H2,1H3,(H,23,30)(H,24,26)/t17-/m1/s1.
What are the key properties of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide?
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide is sourced from PubChem (CID 156661083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).