3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide

C22H29N5O2 — CID 175470632

IUPAC3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1CCCC(C(=O)Nc2cc(-c3cnn4c3CCCC4)c(C)cn2)C1
InChIInChI=1S/C22H29N5O2/c1-14-12-23-21(11-18(14)19-13-24-27-9-4-3-8-20(19)27)26-22(29)16-6-5-7-17(10-16)25-15(2)28/h11-13,16-17H,3-10H2,1-2H3,(H,25,28)(H,23,26,29)
InChIKeyOVIUPPKSNGLCLA-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.22
Rot. Bonds4

About 3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide

3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 175470632) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
PubChem CID175470632
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1CCCC(C(=O)Nc2cc(-c3cnn4c3CCCC4)c(C)cn2)C1
InChIInChI=1S/C22H29N5O2/c1-14-12-23-21(11-18(14)19-13-24-27-9-4-3-8-20(19)27)26-22(29)16-6-5-7-17(10-16)25-15(2)28/h11-13,16-17H,3-10H2,1-2H3,(H,25,28)(H,23,26,29)
InChIKeyOVIUPPKSNGLCLA-UHFFFAOYSA-N
XLogP3.22
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-3-acetamido-N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 175470626
cis-(1S,3R)-N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-3-[[(2S)-2-hydroxypropyl]amino]cyclohexane-1-carboxamide
CID 175105950
cis-(1S,3R)-3-acetamido-N-[4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 156779839
[(1R,3S)-3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] carbamate
CID 175101995
(1R)-3-acetamido-N-[5-chloro-4-(6-hydroxy-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 175470617
3-acetamido-N-[6-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 175470554
3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
CID 175103747
3-acetamido-N-[5-chloro-4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 175470627
N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 154700204
N-[4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-5-methyl-2-pyridinyl]acetamide
CID 138510377
(3R)-N-[(3S)-3-[[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl]oxolane-3-carboxamide
CID 138510420
1-[2-[[(1S,3R)-3-acetamidocyclohexanecarbonyl]amino]-5-chloro-4-pyridinyl]-N,6,6-trimethyl-5,7-dihydropyrrolizine-3-carboxamide
CID 166848870

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide (CID 175470632) is 3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide is CC(=O)NC1CCCC(C(=O)Nc2cc(-c3cnn4c3CCCC4)c(C)cn2)C1.
What is the InChIKey of 3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is OVIUPPKSNGLCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14-12-23-21(11-18(14)19-13-24-27-9-4-3-8-20(19)27)26-22(29)16-6-5-7-17(10-16)25-15(2)28/h11-13,16-17H,3-10H2,1-2H3,(H,25,28)(H,23,26,29).
What are the key properties of 3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide?
3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 175470632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).