N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide

C26H33N7O3 — CID 166888775

IUPACN-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@H](C(=O)Nc1cnc(-c2c(C)n[nH]c2C)c(OC)c1)C(C1CC1)C1CC1
InChIInChI=1S/C26H33N7O3/c1-5-33-19(10-11-28-33)25(34)30-24(22(16-6-7-16)17-8-9-17)26(35)29-18-12-20(36-4)23(27-13-18)21-14(2)31-32-15(21)3/h10-13,16-17,22,24H,5-9H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t24-/m0/s1
InChIKeyQQEIPXPMMNPVNX-DEOSSOPVSA-N
MW491.60 g/mol
LogP3.49
Rot. Bonds10

About N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide (PubChem CID 166888775) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
PubChem CID166888775
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC NameN-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@H](C(=O)Nc1cnc(-c2c(C)n[nH]c2C)c(OC)c1)C(C1CC1)C1CC1
InChIInChI=1S/C26H33N7O3/c1-5-33-19(10-11-28-33)25(34)30-24(22(16-6-7-16)17-8-9-17)26(35)29-18-12-20(36-4)23(27-13-18)21-14(2)31-32-15(21)3/h10-13,16-17,22,24H,5-9H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t24-/m0/s1
InChIKeyQQEIPXPMMNPVNX-DEOSSOPVSA-N
XLogP3.49
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 175433048
N-[1,1-dicyclopropyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 166888772
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-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-(2-hydroxypropyl)pyrazole-3-carboxamide
CID 156779255
N-[(2S)-1,1-dicyclohexyl-3-[[6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide
CID 175433171
N-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-(4,4,4-trifluoro-3-hydroxybutyl)pyrazole-3-carboxamide
CID 156779197
N-[(2S)-1,1-dicyclopropyl-3-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 168869057
[4-[4-[[(2S)-3,3-dicyclopropyl-2-[(2-ethylpyrazole-3-carbonyl)amino]propanoyl]amino]phenyl]-3,5-dimethylpyrazol-1-yl]methyl dihydrogen phosphate
CID 151038071
N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide
CID 168869055
N-[(2S)-1,1-dicyclohexyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-(3-methylsulfinylpropyl)pyrazole-3-carboxamide
CID 175433038
N-[(1S)-2-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-[(3-methylcyclobut-2-en-1-yl)methyl]pyrazole-3-carboxamide
CID 176668396
2-(cyclopropylmethyl)-N-[(2S)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]pyrazole-3-carboxamide
CID 175433081

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide (CID 166888775) is N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)N[C@H](C(=O)Nc1cnc(-c2c(C)n[nH]c2C)c(OC)c1)C(C1CC1)C1CC1.
What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is QQEIPXPMMNPVNX-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H33N7O3/c1-5-33-19(10-11-28-33)25(34)30-24(22(16-6-7-16)17-8-9-17)26(35)29-18-12-20(36-4)23(27-13-18)21-14(2)31-32-15(21)3/h10-13,16-17,22,24H,5-9H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t24-/m0/s1.
What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?
N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 3.49, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 166888775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).