N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide

C14H13N5O2 — CID 138806777

IUPACN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)c1onc2ncccc12
InChIInChI=1S/C14H13N5O2/c20-14(12-9-4-2-6-15-13(9)19-21-12)16-7-11-8-3-1-5-10(8)17-18-11/h2,4,6H,1,3,5,7H2,(H,16,20)(H,17,18)
InChIKeyDZZKOQGWKQYIHN-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.36
Rot. Bonds3

About N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide

N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 138806777) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
PubChem CID138806777
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)c1onc2ncccc12
InChIInChI=1S/C14H13N5O2/c20-14(12-9-4-2-6-15-13(9)19-21-12)16-7-11-8-3-1-5-10(8)17-18-11/h2,4,6H,1,3,5,7H2,(H,16,20)(H,17,18)
InChIKeyDZZKOQGWKQYIHN-UHFFFAOYSA-N
XLogP1.36
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide (CID 138806777) is N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide is O=C(NCc1n[nH]c2c1CCC2)c1onc2ncccc12.
What is the InChIKey of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is DZZKOQGWKQYIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-14(12-9-4-2-6-15-13(9)19-21-12)16-7-11-8-3-1-5-10(8)17-18-11/h2,4,6H,1,3,5,7H2,(H,16,20)(H,17,18).
What are the key properties of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide?
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 138806777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).