6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H21N5O2 — CID 134788278

IUPAC6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(C2CC2)nc2onc(C3CCCN3)c12
InChIInChI=1S/C20H21N5O2/c26-19(23-11-12-5-8-21-9-6-12)14-10-16(13-3-4-13)24-20-17(14)18(25-27-20)15-2-1-7-22-15/h5-6,8-10,13,15,22H,1-4,7,11H2,(H,23,26)
InChIKeyDVFFFYRAOFBKRY-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.85
Rot. Bonds5

About 6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134788278) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134788278
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(C2CC2)nc2onc(C3CCCN3)c12
InChIInChI=1S/C20H21N5O2/c26-19(23-11-12-5-8-21-9-6-12)14-10-16(13-3-4-13)24-20-17(14)18(25-27-20)15-2-1-7-22-15/h5-6,8-10,13,15,22H,1-4,7,11H2,(H,23,26)
InChIKeyDVFFFYRAOFBKRY-UHFFFAOYSA-N
XLogP2.85
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(3,5-dimethylisoxazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280244
US11306078, Example 4.054
CID 141678083
US11306078, Example 4.033
CID 141678152
9-benzyl-3-(dimethyl-1,2-oxazol-4-yl)-2-methoxy-7H,8H,9H-pyrrolo[2,3-c]1,5-naphthyridin-8-one
CID 75124305
1-pyridin-2-yl-2-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylcarbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190015
6-cyclopropyl-N-(2-methoxyethyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 118740573
5-phenyl-N-[3-(pyridine-4-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 60167732
4-[1-[(4,4-Difluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3-methyl-isoxazol-5-amine
CID 118059550
US11306078, Example 2.079
CID 134209833
US11306078, Example 1.123a
CID 138676322
US11306078, Example 1.171b
CID 141677903
US11306078, Example 1.197
CID 141677907

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134788278) is 6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(NCc1ccncc1)c1cc(C2CC2)nc2onc(C3CCCN3)c12.
What is the InChIKey of 6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DVFFFYRAOFBKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(23-11-12-5-8-21-9-6-12)14-10-16(13-3-4-13)24-20-17(14)18(25-27-20)15-2-1-7-22-15/h5-6,8-10,13,15,22H,1-4,7,11H2,(H,23,26).
What are the key properties of 6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(pyridin-4-ylmethyl)-3-pyrrolidin-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134788278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).