4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C24H23FN4O3 — CID 166452352

IUPAC4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(F)c1-c1nccc2c1CN(c1cccc(N[C@@H]3CCC[C@@H]3O)n1)C2=O
InChIInChI=1S/C24H23FN4O3/c1-32-19-8-2-5-16(25)22(19)23-15-13-29(24(31)14(15)11-12-26-23)21-10-4-9-20(28-21)27-17-6-3-7-18(17)30/h2,4-5,8-12,17-18,30H,3,6-7,13H2,1H3,(H,27,28)/t17-,18+/m1/s1
InChIKeyCOHDCBBGIOTULO-MSOLQXFVSA-N
MW434.47 g/mol
LogP3.78
Rot. Bonds5

About 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166452352) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID166452352
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(F)c1-c1nccc2c1CN(c1cccc(N[C@@H]3CCC[C@@H]3O)n1)C2=O
InChIInChI=1S/C24H23FN4O3/c1-32-19-8-2-5-16(25)22(19)23-15-13-29(24(31)14(15)11-12-26-23)21-10-4-9-20(28-21)27-17-6-3-7-18(17)30/h2,4-5,8-12,17-18,30H,3,6-7,13H2,1H3,(H,27,28)/t17-,18+/m1/s1
InChIKeyCOHDCBBGIOTULO-MSOLQXFVSA-N
XLogP3.78
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-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-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166452352) is 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is COc1cccc(F)c1-c1nccc2c1CN(c1cccc(N[C@@H]3CCC[C@@H]3O)n1)C2=O.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is COHDCBBGIOTULO-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-32-19-8-2-5-16(25)22(19)23-15-13-29(24(31)14(15)11-12-26-23)21-10-4-9-20(28-21)27-17-6-3-7-18(17)30/h2,4-5,8-12,17-18,30H,3,6-7,13H2,1H3,(H,27,28)/t17-,18+/m1/s1.
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 434.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166452352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).