N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C22H27ClN4O3 — CID 167768018

IUPACN-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOC(C(=O)N1CCCC(NC(=O)c2cnn3c2CCCC3)C1)c1cccc(Cl)c1
InChIInChI=1S/C22H27ClN4O3/c1-30-20(15-6-4-7-16(23)12-15)22(29)26-10-5-8-17(14-26)25-21(28)18-13-24-27-11-3-2-9-19(18)27/h4,6-7,12-13,17,20H,2-3,5,8-11,14H2,1H3,(H,25,28)
InChIKeyNOWIAAFKQJZLGI-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.98
Rot. Bonds5

About N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 167768018) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID167768018
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC NameN-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOC(C(=O)N1CCCC(NC(=O)c2cnn3c2CCCC3)C1)c1cccc(Cl)c1
InChIInChI=1S/C22H27ClN4O3/c1-30-20(15-6-4-7-16(23)12-15)22(29)26-10-5-8-17(14-26)25-21(28)18-13-24-27-11-3-2-9-19(18)27/h4,6-7,12-13,17,20H,2-3,5,8-11,14H2,1H3,(H,25,28)
InChIKeyNOWIAAFKQJZLGI-UHFFFAOYSA-N
XLogP2.98
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 86267031
5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 155871066
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
N-[1-[2-(5-methyl-3-pyridinyl)acetyl]azepan-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 167905979
1-(3-chlorophenyl)-N-[(3R)-1-ethylpiperidin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51967073
2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535582
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 124677545
N-(3-chlorophenyl)-4-(2-methoxy-2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 60608156
1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 30855703
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 170579337
methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
CID 118139533

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 167768018) is N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is COC(C(=O)N1CCCC(NC(=O)c2cnn3c2CCCC3)C1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NOWIAAFKQJZLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-30-20(15-6-4-7-16(23)12-15)22(29)26-10-5-8-17(14-26)25-21(28)18-13-24-27-11-3-2-9-19(18)27/h4,6-7,12-13,17,20H,2-3,5,8-11,14H2,1H3,(H,25,28).
What are the key properties of N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 167768018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).