4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one

C23H29N9O2 — CID 146047367

IUPAC4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1c(NC2CC(Nc3ccc(C)nn3)NC3NN(C)C(=O)C23)cccc1-c1ccn(C)n1
InChIInChI=1S/C23H29N9O2/c1-13-8-9-18(28-27-13)25-19-12-17(20-22(26-19)30-32(3)23(20)33)24-16-7-5-6-14(21(16)34-4)15-10-11-31(2)29-15/h5-11,17,19-20,22,24,26,30H,12H2,1-4H3,(H,25,28)
InChIKeyPFSGUTUAXIWQLO-UHFFFAOYSA-N
MW463.55 g/mol
LogP1.33
Rot. Bonds6

About 4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one

4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 146047367) has the molecular formula C23H29N9O2 and a molecular weight of 463.55 g/mol. Its IUPAC name is 4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID146047367
Molecular FormulaC23H29N9O2
Molecular Weight463.55 g/mol
Exact Mass463.24
IUPAC Name4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1c(NC2CC(Nc3ccc(C)nn3)NC3NN(C)C(=O)C23)cccc1-c1ccn(C)n1
InChIInChI=1S/C23H29N9O2/c1-13-8-9-18(28-27-13)25-19-12-17(20-22(26-19)30-32(3)23(20)33)24-16-7-5-6-14(21(16)34-4)15-10-11-31(2)29-15/h5-11,17,19-20,22,24,26,30H,12H2,1-4H3,(H,25,28)
InChIKeyPFSGUTUAXIWQLO-UHFFFAOYSA-N
XLogP1.33
TPSA121.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one with MolForge

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Related Compounds

6-[(5-isocyano-2-pyridinyl)amino]-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 166596254
6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyridine-3-carbonitrile
CID 146047273
6-[[4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyridine-2-carbonitrile
CID 146047275
4-[2-methoxy-3-(5-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 146047294
6-[(6-isocyanopyrimidin-4-yl)amino]-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 166596453
6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyrimidine-4-carbonitrile
CID 146047278
6-[[4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyrimidine-4-carbonitrile
CID 146047276
6-[(5-cyclopropyl-2-pyridinyl)amino]-4-(3-fluoro-2-methoxyanilino)-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 146047338
6-[[4-(3-cyano-2-methoxyanilino)-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyridine-3-carbonitrile
CID 146047288
6-[[4-(3-chloro-2-methoxyanilino)-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyridine-2-carbonitrile
CID 146047346
2-methoxy-3-[[6-[[4-(methoxymethyl)-2-pyridinyl]amino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]benzamide
CID 146047372
N-[4-[3-(4,5-dimethyltriazol-2-yl)-2-methoxyanilino]-2-methyl-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropanecarboxamide
CID 146047395

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one (CID 146047367) is 4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one is COc1c(NC2CC(Nc3ccc(C)nn3)NC3NN(C)C(=O)C23)cccc1-c1ccn(C)n1.
What is the InChIKey of 4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is PFSGUTUAXIWQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O2/c1-13-8-9-18(28-27-13)25-19-12-17(20-22(26-19)30-32(3)23(20)33)24-16-7-5-6-14(21(16)34-4)15-10-11-31(2)29-15/h5-11,17,19-20,22,24,26,30H,12H2,1-4H3,(H,25,28).
What are the key properties of 4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 463.55 g/mol, XLogP of 1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]-2-methyl-6-[(6-methylpyridazin-3-yl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 146047367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).