3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine

C19H19F2N7O — CID 139331348

IUPAC3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine
SMILESCn1ccc(-c2c(-c3nn(C(CF)CF)c4ccnc(N)c34)noc2C2CC2)n1
InChIInChI=1S/C19H19F2N7O/c1-27-7-5-12(24-27)14-17(26-29-18(14)10-2-3-10)16-15-13(4-6-23-19(15)22)28(25-16)11(8-20)9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H2,22,23)
InChIKeyOHGVOBWFFLASLD-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.43
Rot. Bonds6

About 3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine

3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 139331348) has the molecular formula C19H19F2N7O and a molecular weight of 399.41 g/mol. Its IUPAC name is 3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine
PubChem CID139331348
Molecular FormulaC19H19F2N7O
Molecular Weight399.41 g/mol
Exact Mass399.16
IUPAC Name3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine
SMILESCn1ccc(-c2c(-c3nn(C(CF)CF)c4ccnc(N)c34)noc2C2CC2)n1
InChIInChI=1S/C19H19F2N7O/c1-27-7-5-12(24-27)14-17(26-29-18(14)10-2-3-10)16-15-13(4-6-23-19(15)22)28(25-16)11(8-20)9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H2,22,23)
InChIKeyOHGVOBWFFLASLD-UHFFFAOYSA-N
XLogP3.43
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine (CID 139331348) is 3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine is Cn1ccc(-c2c(-c3nn(C(CF)CF)c4ccnc(N)c34)noc2C2CC2)n1.
What is the InChIKey of 3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is OHGVOBWFFLASLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O/c1-27-7-5-12(24-27)14-17(26-29-18(14)10-2-3-10)16-15-13(4-6-23-19(15)22)28(25-16)11(8-20)9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H2,22,23).
What are the key properties of 3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine?
3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 399.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-4-(1-methylpyrazol-3-yl)-1,2-oxazol-3-yl]-1-(1,3-difluoropropan-2-yl)pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 139331348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).