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

C23H32N6O5 — CID 146047318

IUPACN-[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
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1NC1CC(NC(=O)C2CC2)NC2NN(C)C(=O)C12
InChIInChI=1S/C23H32N6O5/c1-28-23(32)19-16(12-18(25-20(19)27-28)26-21(30)13-3-4-13)24-15-6-5-14(11-17(15)33-2)22(31)29-7-9-34-10-8-29/h5-6,11,13,16,18-20,24-25,27H,3-4,7-10,12H2,1-2H3,(H,26,30)
InChIKeyXDNMQCFLRAUTLD-UHFFFAOYSA-N
MW472.55 g/mol
LogP-0.29
Rot. Bonds6

About 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

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 (PubChem CID 146047318) has the molecular formula C23H32N6O5 and a molecular weight of 472.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID146047318
Molecular FormulaC23H32N6O5
Molecular Weight472.55 g/mol
Exact Mass472.24
IUPAC NameN-[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
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1NC1CC(NC(=O)C2CC2)NC2NN(C)C(=O)C12
InChIInChI=1S/C23H32N6O5/c1-28-23(32)19-16(12-18(25-20(19)27-28)26-21(30)13-3-4-13)24-15-6-5-14(11-17(15)33-2)22(31)29-7-9-34-10-8-29/h5-6,11,13,16,18-20,24-25,27H,3-4,7-10,12H2,1-2H3,(H,26,30)
InChIKeyXDNMQCFLRAUTLD-UHFFFAOYSA-N
XLogP-0.29
TPSA124.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
[4-[(5-cyclopropyl-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 58539186
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119866736
[4-[(4-amino-5-bromopyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 121258187
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 119330538
1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
CID 4850069
2-(4-aminophenyl)-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 119755689
methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate
CID 110803260
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C(=O)N2CCOCC2)ccc1NC1CC(NC(=O)C2CC2)NC2NN(C)C(=O)C12.
What is the InChIKey of 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?
The InChIKey is XDNMQCFLRAUTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O5/c1-28-23(32)19-16(12-18(25-20(19)27-28)26-21(30)13-3-4-13)24-15-6-5-14(11-17(15)33-2)22(31)29-7-9-34-10-8-29/h5-6,11,13,16,18-20,24-25,27H,3-4,7-10,12H2,1-2H3,(H,26,30).
What are the key properties of 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?
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 has a molecular weight of 472.55 g/mol, XLogP of -0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146047318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).