N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide

C26H29N7O2 — CID 156779480

IUPACN-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2cnn3ncccc23)C2CCCCC2)cc1
InChIInChI=1S/C26H29N7O2/c1-16-23(17(2)32-31-16)18-10-12-20(13-11-18)29-26(35)24(19-7-4-3-5-8-19)30-25(34)21-15-28-33-22(21)9-6-14-27-33/h6,9-15,19,24H,3-5,7-8H2,1-2H3,(H,29,35)(H,30,34)(H,31,32)/t24-/m0/s1
InChIKeyQYSFXVLRFRGXTQ-DEOSSOPVSA-N
MW471.57 g/mol
LogP4.05
Rot. Bonds6

About N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide

N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide (PubChem CID 156779480) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
PubChem CID156779480
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2cnn3ncccc23)C2CCCCC2)cc1
InChIInChI=1S/C26H29N7O2/c1-16-23(17(2)32-31-16)18-10-12-20(13-11-18)29-26(35)24(19-7-4-3-5-8-19)30-25(34)21-15-28-33-22(21)9-6-14-27-33/h6,9-15,19,24H,3-5,7-8H2,1-2H3,(H,29,35)(H,30,34)(H,31,32)/t24-/m0/s1
InChIKeyQYSFXVLRFRGXTQ-DEOSSOPVSA-N
XLogP4.05
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 156904253
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-cyclopropylpyrazole-3-carboxamide
CID 156779285
2-but-3-en-2-yl-N-[1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazole-3-carboxamide
CID 176668391
N-[(1S)-1-cycloheptyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-[3-(2-methoxyethoxy)propyl]pyrazole-3-carboxamide
CID 177146963
N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 175152370
2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide
CID 154944163
N-[(2S)-3-cyclobutyl-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxobutan-2-yl]-2-methylpyrazole-3-carboxamide
CID 156779265
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 146909195
N-[(2S)-3-cyclohexyl-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopentan-2-yl]-2-methylpyrazole-3-carboxamide
CID 156779274
N-[(1S)-1-[(1S)-3,3-difluorocyclohexyl]-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 156779252
N-[1-cyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxo-1-phenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 154944185
N-[(1S)-1-(2,2-dimethylcyclopropyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 156779419

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide (CID 156779480) is N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2cnn3ncccc23)C2CCCCC2)cc1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The InChIKey is QYSFXVLRFRGXTQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-16-23(17(2)32-31-16)18-10-12-20(13-11-18)29-26(35)24(19-7-4-3-5-8-19)30-25(34)21-15-28-33-22(21)9-6-14-27-33/h6,9-15,19,24H,3-5,7-8H2,1-2H3,(H,29,35)(H,30,34)(H,31,32)/t24-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide is sourced from PubChem (CID 156779480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).