(6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C27H32ClN5O4 — CID 167052566

About (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

(6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 167052566) has the molecular formula C27H32ClN5O4 and a molecular weight of 526.04 g/mol. Its IUPAC name is (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 167052566
• Molecular Formula: C27H32ClN5O4
• Molecular Weight: 526.04 g/mol
• Exact Mass: 525.21
• IUPAC Name: (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• SMILES: COc1c(Cl)cccc1Nc1c(-c2ccncc2OC[C@H]2CN(C)CCO2)[nH]c2c1C(=O)N[C@H](C)[C@@H]2C
• InChI: InChI=1S/C27H32ClN5O4/c1-15-16(2)30-27(34)22-23(15)32-24(25(22)31-20-7-5-6-19(28)26(20)35-4)18-8-9-29-12-21(18)37-14-17-13-33(3)10-11-36-17/h5-9,12,15-17,31-32H,10-11,13-14H2,1-4H3,(H,30,34)/t15-,16+,17+/m0/s1
• InChIKey: CJWSAMUWHWFWSK-GVDBMIGSSA-N
• XLogP: 4.43
• TPSA: 100.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.04
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 167052566) is (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1c(Cl)cccc1Nc1c(-c2ccncc2OC[C@H]2CN(C)CCO2)[nH]c2c1C(=O)N[C@H](C)[C@@H]2C.

What is the InChIKey of (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The InChIKey is CJWSAMUWHWFWSK-GVDBMIGSSA-N. The full InChI is InChI=1S/C27H32ClN5O4/c1-15-16(2)30-27(34)22-23(15)32-24(25(22)31-20-7-5-6-19(28)26(20)35-4)18-8-9-29-12-21(18)37-14-17-13-33(3)10-11-36-17/h5-9,12,15-17,31-32H,10-11,13-14H2,1-4H3,(H,30,34)/t15-,16+,17+/m0/s1.

What are the key properties of (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

(6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 526.04 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,7S)-3-(3-chloro-2-methoxyanilino)-6,7-dimethyl-2-[3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 167052566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).