3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine

C19H20FN7O — CID 139341981

IUPAC3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
SMILESCc1cc(-c2c(-c3nn(C(C)C)c4c(F)cnc(N)c34)noc2C2CC2)n[nH]1
InChIInChI=1S/C19H20FN7O/c1-8(2)27-17-11(20)7-22-19(21)14(17)15(25-27)16-13(12-6-9(3)23-24-12)18(28-26-16)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H2,21,22)(H,23,24)
InChIKeyVSDVPRLYULEKND-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.96
Rot. Bonds4

About 3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine

3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine (PubChem CID 139341981) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
PubChem CID139341981
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
SMILESCc1cc(-c2c(-c3nn(C(C)C)c4c(F)cnc(N)c34)noc2C2CC2)n[nH]1
InChIInChI=1S/C19H20FN7O/c1-8(2)27-17-11(20)7-22-19(21)14(17)15(25-27)16-13(12-6-9(3)23-24-12)18(28-26-16)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H2,21,22)(H,23,24)
InChIKeyVSDVPRLYULEKND-UHFFFAOYSA-N
XLogP3.96
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine (CID 139341981) is 3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine is Cc1cc(-c2c(-c3nn(C(C)C)c4c(F)cnc(N)c34)noc2C2CC2)n[nH]1.
What is the InChIKey of 3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The InChIKey is VSDVPRLYULEKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-8(2)27-17-11(20)7-22-19(21)14(17)15(25-27)16-13(12-6-9(3)23-24-12)18(28-26-16)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H2,21,22)(H,23,24).
What are the key properties of 3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine has a molecular weight of 381.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-4-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 139341981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).