3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H21N5O2 — CID 171315129

IUPAC3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cnn(CCNC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)c1
InChIInChI=1S/C19H21N5O2/c1-11-9-21-24(10-11)7-6-20-18(25)14-8-15(12-2-3-12)22-19-16(14)17(23-26-19)13-4-5-13/h8-10,12-13H,2-7H2,1H3,(H,20,25)
InChIKeyLAQBEZYFZLIPHB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.91
Rot. Bonds6

About 3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315129) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315129
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cnn(CCNC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)c1
InChIInChI=1S/C19H21N5O2/c1-11-9-21-24(10-11)7-6-20-18(25)14-8-15(12-2-3-12)22-19-16(14)17(23-26-19)13-4-5-13/h8-10,12-13H,2-7H2,1H3,(H,20,25)
InChIKeyLAQBEZYFZLIPHB-UHFFFAOYSA-N
XLogP2.91
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315129) is 3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cnn(CCNC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)c1.
What is the InChIKey of 3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LAQBEZYFZLIPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11-9-21-24(10-11)7-6-20-18(25)14-8-15(12-2-3-12)22-19-16(14)17(23-26-19)13-4-5-13/h8-10,12-13H,2-7H2,1H3,(H,20,25).
What are the key properties of 3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).