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]furo[3,2-b]pyridine-2-carboxamide

C32H30N6O4 — CID 177374621

IUPACN-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]furo[3,2-b]pyridine-2-carboxamide
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cc5ncccc5o4)cc3)cc2)n1
InChIInChI=1S/C32H30N6O4/c1-19(2)26-18-41-32(40)38(26)29-14-16-34-31(37-29)35-20(3)21-6-8-22(9-7-21)23-10-12-24(13-11-23)36-30(39)28-17-25-27(42-28)5-4-15-33-25/h4-17,19-20,26H,18H2,1-3H3,(H,36,39)(H,34,35,37)/t20-,26+/m0/s1
InChIKeyBKHWSLFWRLAKOI-RXFWQSSRSA-N
MW562.63 g/mol
LogP6.69
Rot. Bonds8

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]furo[3,2-b]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]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 177374621) has the molecular formula C32H30N6O4 and a molecular weight of 562.63 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]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]furo[3,2-b]pyridine-2-carboxamide
PubChem CID177374621
Molecular FormulaC32H30N6O4
Molecular Weight562.63 g/mol
Exact Mass562.23
IUPAC NameN-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]furo[3,2-b]pyridine-2-carboxamide
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cc5ncccc5o4)cc3)cc2)n1
InChIInChI=1S/C32H30N6O4/c1-19(2)26-18-41-32(40)38(26)29-14-16-34-31(37-29)35-20(3)21-6-8-22(9-7-21)23-10-12-24(13-11-23)36-30(39)28-17-25-27(42-28)5-4-15-33-25/h4-17,19-20,26H,18H2,1-3H3,(H,36,39)(H,34,35,37)/t20-,26+/m0/s1
InChIKeyBKHWSLFWRLAKOI-RXFWQSSRSA-N
XLogP6.69
TPSA122.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.63
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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]furo[3,2-b]pyridine-2-carboxamide with MolForge

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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]furo[3,2-b]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]furo[3,2-b]pyridine-2-carboxamide (CID 177374621) 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]furo[3,2-b]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]furo[3,2-b]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]furo[3,2-b]pyridine-2-carboxamide is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cc5ncccc5o4)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]furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is BKHWSLFWRLAKOI-RXFWQSSRSA-N. The full InChI is InChI=1S/C32H30N6O4/c1-19(2)26-18-41-32(40)38(26)29-14-16-34-31(37-29)35-20(3)21-6-8-22(9-7-21)23-10-12-24(13-11-23)36-30(39)28-17-25-27(42-28)5-4-15-33-25/h4-17,19-20,26H,18H2,1-3H3,(H,36,39)(H,34,35,37)/t20-,26+/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]furo[3,2-b]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]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 562.63 g/mol, XLogP of 6.69, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 177374621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).