4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide

C17H19ClN8O2 — CID 131918433

IUPAC4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)NCC2CCCN(C(=O)c3ccc4nnnn4c3)C2)n1
InChIInChI=1S/C17H19ClN8O2/c1-24-10-13(18)15(21-24)16(27)19-7-11-3-2-6-25(8-11)17(28)12-4-5-14-20-22-23-26(14)9-12/h4-5,9-11H,2-3,6-8H2,1H3,(H,19,27)
InChIKeyKAWZQDIRMOIBND-UHFFFAOYSA-N
MW402.85 g/mol
LogP0.79
Rot. Bonds4

About 4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide

4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide (PubChem CID 131918433) has the molecular formula C17H19ClN8O2 and a molecular weight of 402.85 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide
PubChem CID131918433
Molecular FormulaC17H19ClN8O2
Molecular Weight402.85 g/mol
Exact Mass402.13
IUPAC Name4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)NCC2CCCN(C(=O)c3ccc4nnnn4c3)C2)n1
InChIInChI=1S/C17H19ClN8O2/c1-24-10-13(18)15(21-24)16(27)19-7-11-3-2-6-25(8-11)17(28)12-4-5-14-20-22-23-26(14)9-12/h4-5,9-11H,2-3,6-8H2,1H3,(H,19,27)
InChIKeyKAWZQDIRMOIBND-UHFFFAOYSA-N
XLogP0.79
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95554467
[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95872332
[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70713709
4-[(3S)-1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97205451
3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
CID 70749697
[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119397457
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
[4-(cyclopropylmethyl)piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 84586833
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 75426017
methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide (CID 131918433) is 4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)NCC2CCCN(C(=O)c3ccc4nnnn4c3)C2)n1.
What is the InChIKey of 4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is KAWZQDIRMOIBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN8O2/c1-24-10-13(18)15(21-24)16(27)19-7-11-3-2-6-25(8-11)17(28)12-4-5-14-20-22-23-26(14)9-12/h4-5,9-11H,2-3,6-8H2,1H3,(H,19,27).
What are the key properties of 4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 402.85 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131918433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).