N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide

C22H24N6O4 — CID 134438999

IUPACN-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1N1CCCC1=O
InChIInChI=1S/C22H24N6O4/c1-27-22(31)18-14(11-16(24-20(18)26-27)25-21(30)12-8-9-12)23-13-5-3-6-15(19(13)32-2)28-10-4-7-17(28)29/h3,5-6,11-12H,4,7-10H2,1-2H3,(H3,23,24,25,26,30)
InChIKeyBXIOXXCPKHFUDQ-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.49
Rot. Bonds6

About N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 134438999) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID134438999
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC NameN-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1N1CCCC1=O
InChIInChI=1S/C22H24N6O4/c1-27-22(31)18-14(11-16(24-20(18)26-27)25-21(30)12-8-9-12)23-13-5-3-6-15(19(13)32-2)28-10-4-7-17(28)29/h3,5-6,11-12H,4,7-10H2,1-2H3,(H3,23,24,25,26,30)
InChIKeyBXIOXXCPKHFUDQ-UHFFFAOYSA-N
XLogP2.49
TPSA121.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134438611
6-chloro-4-(3,4-difluoro-2-methoxyanilino)-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one;cyclopropanecarboxamide;4,6-dichloro-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one;3,4-difluoro-2-methoxyaniline;N-[4-(3,4-difluoro-2-methoxyanilino)-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 163850301
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
N-[4-[2-(ethylsulfonylamino)-4-methylanilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 134563084
N'-[amino(methyl)amino]-3-[[6-[(6-cyclopropyl-2-pyridinyl)amino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-2-methoxybenzenecarboximidamide
CID 166647436
2-methoxy-3-[[2-methyl-3-oxo-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]benzonitrile
CID 134438947
4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438526
4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-6-[(5-methyl-2-pyridinyl)amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438497
4-[2-methoxy-4-(methoxymethyl)anilino]-2-methyl-6-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438774
6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438529
N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455883
6-chloro-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438612

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide (CID 134438999) is N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1N1CCCC1=O.
What is the InChIKey of N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is BXIOXXCPKHFUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-27-22(31)18-14(11-16(24-20(18)26-27)25-21(30)12-8-9-12)23-13-5-3-6-15(19(13)32-2)28-10-4-7-17(28)29/h3,5-6,11-12H,4,7-10H2,1-2H3,(H3,23,24,25,26,30).
What are the key properties of N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 436.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134438999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).