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

C22H33N7O — CID 134068892

IUPAC3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCCN3CCCC3)cn12
InChIInChI=1S/C22H33N7O/c1-26-12-13-28(14-17-4-5-17)16-19(26)21-25-24-20-7-6-18(15-29(20)21)22(30)23-8-11-27-9-2-3-10-27/h6-7,15,17,19H,2-5,8-14,16H2,1H3,(H,23,30)
InChIKeyQOHKFKOSUKPEHT-UHFFFAOYSA-N
MW411.55 g/mol
LogP1.25
Rot. Bonds7

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

3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134068892) has the molecular formula C22H33N7O and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134068892
Molecular FormulaC22H33N7O
Molecular Weight411.55 g/mol
Exact Mass411.27
IUPAC Name3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCCN3CCCC3)cn12
InChIInChI=1S/C22H33N7O/c1-26-12-13-28(14-17-4-5-17)16-19(26)21-25-24-20-7-6-18(15-29(20)21)22(30)23-8-11-27-9-2-3-10-27/h6-7,15,17,19H,2-5,8-14,16H2,1H3,(H,23,30)
InChIKeyQOHKFKOSUKPEHT-UHFFFAOYSA-N
XLogP1.25
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075626
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068897
N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131660737
N-benzyl-3-[(2R)-4-benzyl-1-methylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448640
3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131657567
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-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448785
3-(1,4-dimethylpiperazin-2-yl)-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131646915
[3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 131640031
3-(1,4-dimethylpiperazin-2-yl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131638547
3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068878
N-cyclopentyl-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068907

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134068892) is 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCCN3CCCC3)cn12.
What is the InChIKey of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is QOHKFKOSUKPEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O/c1-26-12-13-28(14-17-4-5-17)16-19(26)21-25-24-20-7-6-18(15-29(20)21)22(30)23-8-11-27-9-2-3-10-27/h6-7,15,17,19H,2-5,8-14,16H2,1H3,(H,23,30).
What are the key properties of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 1.25, 7 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-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134068892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).