N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

C23H27N5O2 — CID 155076770

IUPACN-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc2ncccc2[nH]1)[C@@H]1C=C(NCc2cc(C3CC3)on2)CCC1
InChIInChI=1S/C23H27N5O2/c1-2-28(23(29)21-13-20-19(26-21)7-4-10-24-20)18-6-3-5-16(11-18)25-14-17-12-22(30-27-17)15-8-9-15/h4,7,10-13,15,18,25-26H,2-3,5-6,8-9,14H2,1H3/t18-/m0/s1
InChIKeyBBQLQIDHDFDCBH-SFHVURJKSA-N
MW405.50 g/mol
LogP4.12
Rot. Bonds7

About N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 155076770) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID155076770
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc2ncccc2[nH]1)[C@@H]1C=C(NCc2cc(C3CC3)on2)CCC1
InChIInChI=1S/C23H27N5O2/c1-2-28(23(29)21-13-20-19(26-21)7-4-10-24-20)18-6-3-5-16(11-18)25-14-17-12-22(30-27-17)15-8-9-15/h4,7,10-13,15,18,25-26H,2-3,5-6,8-9,14H2,1H3/t18-/m0/s1
InChIKeyBBQLQIDHDFDCBH-SFHVURJKSA-N
XLogP4.12
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide 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 N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (CID 155076770) is N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is CCN(C(=O)c1cc2ncccc2[nH]1)[C@@H]1C=C(NCc2cc(C3CC3)on2)CCC1.
What is the InChIKey of N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is BBQLQIDHDFDCBH-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-28(23(29)21-13-20-19(26-21)7-4-10-24-20)18-6-3-5-16(11-18)25-14-17-12-22(30-27-17)15-8-9-15/h4,7,10-13,15,18,25-26H,2-3,5-6,8-9,14H2,1H3/t18-/m0/s1.
What are the key properties of N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-2-en-1-yl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155076770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).