2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide

C25H35N7O2 — CID 163571190

IUPAC2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(CNc1ccc(-c2c(CO)cnn2C)cn1)C1CCC(C)CC1
InChIInChI=1S/C25H35N7O2/c1-4-32-22(11-12-28-32)25(34)30-21(18-7-5-17(2)6-8-18)15-27-23-10-9-19(13-26-23)24-20(16-33)14-29-31(24)3/h9-14,17-18,21,33H,4-8,15-16H2,1-3H3,(H,26,27)(H,30,34)
InChIKeyFZMGDNRLXTUJFH-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.23
Rot. Bonds9

About 2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide

2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide (PubChem CID 163571190) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide
PubChem CID163571190
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC Name2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(CNc1ccc(-c2c(CO)cnn2C)cn1)C1CCC(C)CC1
InChIInChI=1S/C25H35N7O2/c1-4-32-22(11-12-28-32)25(34)30-21(18-7-5-17(2)6-8-18)15-27-23-10-9-19(13-26-23)24-20(16-33)14-29-31(24)3/h9-14,17-18,21,33H,4-8,15-16H2,1-3H3,(H,26,27)(H,30,34)
InChIKeyFZMGDNRLXTUJFH-UHFFFAOYSA-N
XLogP3.23
TPSA109.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362487
N-[(1S)-2-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362491
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362456
N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyltriazole-4-carboxamide
CID 162362423
N-[2-[[6-(1,4-dimethylpyrazol-5-yl)-5-fluoro-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362263
2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
CID 168846549
N-[1-cycloheptyl-2-[[5-(3-ethyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 168846617
N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 162362323
N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 162362278
3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 162362243
N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362475
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-ethylpyrazole-3-carboxamide
CID 98472822

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide (CID 163571190) is 2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)NC(CNc1ccc(-c2c(CO)cnn2C)cn1)C1CCC(C)CC1.
What is the InChIKey of 2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is FZMGDNRLXTUJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-4-32-22(11-12-28-32)25(34)30-21(18-7-5-17(2)6-8-18)15-27-23-10-9-19(13-26-23)24-20(16-33)14-29-31(24)3/h9-14,17-18,21,33H,4-8,15-16H2,1-3H3,(H,26,27)(H,30,34).
What are the key properties of 2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide?
2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 3.23, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[[5-[4-(hydroxymethyl)-1-methylpyrazol-5-yl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 163571190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).