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

C23H29N5O2 — CID 135171160

IUPACN-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc2ncccc2[nH]1)C1CCCC(NCc2cc(C3CC3)no2)C1
InChIInChI=1S/C23H29N5O2/c1-2-28(23(29)22-13-21-19(26-22)7-4-10-24-21)17-6-3-5-16(11-17)25-14-18-12-20(27-30-18)15-8-9-15/h4,7,10,12-13,15-17,25-26H,2-3,5-6,8-9,11,14H2,1H3
InChIKeyVEDHDLDJHSCZTR-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.99
Rot. Bonds7

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

N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 135171160) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID135171160
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc2ncccc2[nH]1)C1CCCC(NCc2cc(C3CC3)no2)C1
InChIInChI=1S/C23H29N5O2/c1-2-28(23(29)22-13-21-19(26-22)7-4-10-24-21)17-6-3-5-16(11-17)25-14-18-12-20(27-30-18)15-8-9-15/h4,7,10,12-13,15-17,25-26H,2-3,5-6,8-9,11,14H2,1H3
InChIKeyVEDHDLDJHSCZTR-UHFFFAOYSA-N
XLogP3.99
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (CID 135171160) is N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is CCN(C(=O)c1cc2ncccc2[nH]1)C1CCCC(NCc2cc(C3CC3)no2)C1.
What is the InChIKey of N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is VEDHDLDJHSCZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-2-28(23(29)22-13-21-19(26-22)7-4-10-24-21)17-6-3-5-16(11-17)25-14-18-12-20(27-30-18)15-8-9-15/h4,7,10,12-13,15-17,25-26H,2-3,5-6,8-9,11,14H2,1H3.
What are the key properties of N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 135171160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).