N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C32H31N7O3 — CID 177374628

About N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 177374628) has the molecular formula C32H31N7O3 and a molecular weight of 561.65 g/mol. Its IUPAC name is N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• PubChem CID: 177374628
• Molecular Formula: C32H31N7O3
• Molecular Weight: 561.65 g/mol
• Exact Mass: 561.25
• IUPAC Name: N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
• SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cc5cnccc5[nH]4)cc3)cc2)n1
• InChI: InChI=1S/C32H31N7O3/c1-19(2)28-18-42-32(41)39(28)29-13-15-34-31(38-29)35-20(3)21-4-6-22(7-5-21)23-8-10-25(11-9-23)36-30(40)27-16-24-17-33-14-12-26(24)37-27/h4-17,19-20,28,37H,18H2,1-3H3,(H,36,40)(H,34,35,38)/t20-,28+/m0/s1
• InChIKey: NAOYFKPOWCMSDM-WTYVLRPYSA-N
• XLogP: 6.43
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.65
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The IUPAC name of N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 177374628) is N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cc5cnccc5[nH]4)cc3)cc2)n1.

What is the InChIKey of N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

The InChIKey is NAOYFKPOWCMSDM-WTYVLRPYSA-N. The full InChI is InChI=1S/C32H31N7O3/c1-19(2)28-18-42-32(41)39(28)29-13-15-34-31(38-29)35-20(3)21-4-6-22(7-5-21)23-8-10-25(11-9-23)36-30(40)27-16-24-17-33-14-12-26(24)37-27/h4-17,19-20,28,37H,18H2,1-3H3,(H,36,40)(H,34,35,38)/t20-,28+/m0/s1.

What are the key properties of N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?

N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 561.65 g/mol, XLogP of 6.43, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 177374628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).