N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide

C23H30F2N6O4 — CID 146047396

IUPACN-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCN1NC2NC(NC(=O)C3CC3)CC(Nc3ccc(C(=O)N4CCCC4)cc3OC(F)F)C2C1=O
InChIInChI=1S/C23H30F2N6O4/c1-30-22(34)18-15(11-17(27-19(18)29-30)28-20(32)12-4-5-12)26-14-7-6-13(10-16(14)35-23(24)25)21(33)31-8-2-3-9-31/h6-7,10,12,15,17-19,23,26-27,29H,2-5,8-9,11H2,1H3,(H,28,32)
InChIKeyDCDQEDOAIGJBBZ-UHFFFAOYSA-N
MW492.53 g/mol
LogP1.07
Rot. Bonds7

About N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 146047396) has the molecular formula C23H30F2N6O4 and a molecular weight of 492.53 g/mol. Its IUPAC name is N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID146047396
Molecular FormulaC23H30F2N6O4
Molecular Weight492.53 g/mol
Exact Mass492.23
IUPAC NameN-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCN1NC2NC(NC(=O)C3CC3)CC(Nc3ccc(C(=O)N4CCCC4)cc3OC(F)F)C2C1=O
InChIInChI=1S/C23H30F2N6O4/c1-30-22(34)18-15(11-17(27-19(18)29-30)28-20(32)12-4-5-12)26-14-7-6-13(10-16(14)35-23(24)25)21(33)31-8-2-3-9-31/h6-7,10,12,15,17-19,23,26-27,29H,2-5,8-9,11H2,1H3,(H,28,32)
InChIKeyDCDQEDOAIGJBBZ-UHFFFAOYSA-N
XLogP1.07
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 146047318
2-chloro-4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157465751
[4-(difluoromethoxy)-3-methoxyphenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493318
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119376566
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55826399
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 27563113
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 119330538
N-[1-(2-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 103764046
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 17461515
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119594083

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide (CID 146047396) is N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide is CN1NC2NC(NC(=O)C3CC3)CC(Nc3ccc(C(=O)N4CCCC4)cc3OC(F)F)C2C1=O.
What is the InChIKey of N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is DCDQEDOAIGJBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N6O4/c1-30-22(34)18-15(11-17(27-19(18)29-30)28-20(32)12-4-5-12)26-14-7-6-13(10-16(14)35-23(24)25)21(33)31-8-2-3-9-31/h6-7,10,12,15,17-19,23,26-27,29H,2-5,8-9,11H2,1H3,(H,28,32).
What are the key properties of N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 492.53 g/mol, XLogP of 1.07, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146047396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).