6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H21N5O2 — CID 17492725

IUPAC6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C2CC2)nc2onc(C)c12
InChIInChI=1S/C22H21N5O2/c1-12-19-17(11-18(15-9-10-15)23-22(19)29-26-12)21(28)24-20-13(2)25-27(14(20)3)16-7-5-4-6-8-16/h4-8,11,15H,9-10H2,1-3H3,(H,24,28)
InChIKeyCIUNMQQUMCWDNQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.46
Rot. Bonds4

About 6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17492725) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID17492725
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C2CC2)nc2onc(C)c12
InChIInChI=1S/C22H21N5O2/c1-12-19-17(11-18(15-9-10-15)23-22(19)29-26-12)21(28)24-20-13(2)25-27(14(20)3)16-7-5-4-6-8-16/h4-8,11,15H,9-10H2,1-3H3,(H,24,28)
InChIKeyCIUNMQQUMCWDNQ-UHFFFAOYSA-N
XLogP4.46
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 17492725) is 6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C2CC2)nc2onc(C)c12.
What is the InChIKey of 6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CIUNMQQUMCWDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-12-19-17(11-18(15-9-10-15)23-22(19)29-26-12)21(28)24-20-13(2)25-27(14(20)3)16-7-5-4-6-8-16/h4-8,11,15H,9-10H2,1-3H3,(H,24,28).
What are the key properties of 6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17492725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).