3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C22H27N7O — CID 134068897

IUPAC3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCc3ccccn3)cn12
InChIInChI=1S/C22H27N7O/c1-27-10-11-28(13-16-5-6-16)15-19(27)21-26-25-20-8-7-17(14-29(20)21)22(30)24-12-18-4-2-3-9-23-18/h2-4,7-9,14,16,19H,5-6,10-13,15H2,1H3,(H,24,30)
InChIKeyQIKDYCGHVFVNSO-UHFFFAOYSA-N
MW405.51 g/mol
LogP1.75
Rot. Bonds6

About 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134068897) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134068897
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCc3ccccn3)cn12
InChIInChI=1S/C22H27N7O/c1-27-10-11-28(13-16-5-6-16)15-19(27)21-26-25-20-8-7-17(14-29(20)21)22(30)24-12-18-4-2-3-9-23-18/h2-4,7-9,14,16,19H,5-6,10-13,15H2,1H3,(H,24,30)
InChIKeyQIKDYCGHVFVNSO-UHFFFAOYSA-N
XLogP1.75
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448657
3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448801
3-(1,4-dimethylpiperazin-2-yl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131638547
N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068907
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075626
[3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 134068912
3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068878
3-(1-propan-2-ylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075476
N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448664
N-benzyl-3-[(2S)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 98776744
N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131660737
3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448263

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134068897) is 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCc3ccccn3)cn12.
What is the InChIKey of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is QIKDYCGHVFVNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-27-10-11-28(13-16-5-6-16)15-19(27)21-26-25-20-8-7-17(14-29(20)21)22(30)24-12-18-4-2-3-9-23-18/h2-4,7-9,14,16,19H,5-6,10-13,15H2,1H3,(H,24,30).
What are the key properties of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134068897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).