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

C23H22FN5O2 — CID 166452438

IUPAC4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(F)c1-c1nccc2c1CN(c1cccc(N[C@@H]3CCNC3)n1)C2=O
InChIInChI=1S/C23H22FN5O2/c1-31-18-5-2-4-17(24)21(18)22-16-13-29(23(30)15(16)9-11-26-22)20-7-3-6-19(28-20)27-14-8-10-25-12-14/h2-7,9,11,14,25H,8,10,12-13H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyZUWASOCBESJGDQ-CQSZACIVSA-N
MW419.46 g/mol
LogP3.23
Rot. Bonds5

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

4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166452438) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID166452438
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(F)c1-c1nccc2c1CN(c1cccc(N[C@@H]3CCNC3)n1)C2=O
InChIInChI=1S/C23H22FN5O2/c1-31-18-5-2-4-17(24)21(18)22-16-13-29(23(30)15(16)9-11-26-22)20-7-3-6-19(28-20)27-14-8-10-25-12-14/h2-7,9,11,14,25H,8,10,12-13H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyZUWASOCBESJGDQ-CQSZACIVSA-N
XLogP3.23
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166452438) is 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is COc1cccc(F)c1-c1nccc2c1CN(c1cccc(N[C@@H]3CCNC3)n1)C2=O.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is ZUWASOCBESJGDQ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-31-18-5-2-4-17(24)21(18)22-16-13-29(23(30)15(16)9-11-26-22)20-7-3-6-19(28-20)27-14-8-10-25-12-14/h2-7,9,11,14,25H,8,10,12-13H2,1H3,(H,27,28)/t14-/m1/s1.
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 419.46 g/mol, XLogP of 3.23, 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-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166452438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).