4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one

C24H32FN7O2 — CID 146047324

IUPAC4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1c(F)cccc1NC1CC(Nc2ccc(N3CCCCC3)cn2)NC2NN(C)C(=O)C12
InChIInChI=1S/C24H32FN7O2/c1-31-24(33)21-18(27-17-8-6-7-16(25)22(17)34-2)13-20(29-23(21)30-31)28-19-10-9-15(14-26-19)32-11-4-3-5-12-32/h6-10,14,18,20-21,23,27,29-30H,3-5,11-13H2,1-2H3,(H,26,28)
InChIKeyXTAFXKMOVCYGNU-UHFFFAOYSA-N
MW469.57 g/mol
LogP2.35
Rot. Bonds6

About 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one

4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 146047324) has the molecular formula C24H32FN7O2 and a molecular weight of 469.57 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID146047324
Molecular FormulaC24H32FN7O2
Molecular Weight469.57 g/mol
Exact Mass469.26
IUPAC Name4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1c(F)cccc1NC1CC(Nc2ccc(N3CCCCC3)cn2)NC2NN(C)C(=O)C12
InChIInChI=1S/C24H32FN7O2/c1-31-24(33)21-18(27-17-8-6-7-16(25)22(17)34-2)13-20(29-23(21)30-31)28-19-10-9-15(14-26-19)32-11-4-3-5-12-32/h6-10,14,18,20-21,23,27,29-30H,3-5,11-13H2,1-2H3,(H,26,28)
InChIKeyXTAFXKMOVCYGNU-UHFFFAOYSA-N
XLogP2.35
TPSA93.79 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one (CID 146047324) is 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one is COc1c(F)cccc1NC1CC(Nc2ccc(N3CCCCC3)cn2)NC2NN(C)C(=O)C12.
What is the InChIKey of 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is XTAFXKMOVCYGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN7O2/c1-31-24(33)21-18(27-17-8-6-7-16(25)22(17)34-2)13-20(29-23(21)30-31)28-19-10-9-15(14-26-19)32-11-4-3-5-12-32/h6-10,14,18,20-21,23,27,29-30H,3-5,11-13H2,1-2H3,(H,26,28).
What are the key properties of 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one?
4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 469.57 g/mol, XLogP of 2.35, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxyanilino)-2-methyl-6-[(5-piperidin-1-yl-2-pyridinyl)amino]-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 146047324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).