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

C18H19N7O — CID 139341965

IUPAC3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2cnc[nH]2)c2c(N)nccc21
InChIInChI=1S/C18H19N7O/c1-9(2)25-12-5-6-21-18(19)14(12)15(23-25)16-13(11-7-20-8-22-11)17(26-24-16)10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyAELMDPHIYXONLN-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.52
Rot. Bonds4

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

3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (PubChem CID 139341965) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
PubChem CID139341965
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2cnc[nH]2)c2c(N)nccc21
InChIInChI=1S/C18H19N7O/c1-9(2)25-12-5-6-21-18(19)14(12)15(23-25)16-13(11-7-20-8-22-11)17(26-24-16)10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyAELMDPHIYXONLN-UHFFFAOYSA-N
XLogP3.52
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.52
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-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (CID 139341965) is 3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is CC(C)n1nc(-c2noc(C3CC3)c2-c2cnc[nH]2)c2c(N)nccc21.
What is the InChIKey of 3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is AELMDPHIYXONLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-9(2)25-12-5-6-21-18(19)14(12)15(23-25)16-13(11-7-20-8-22-11)17(26-24-16)10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
3-[5-cyclopropyl-4-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 349.40 g/mol, XLogP of 3.52, 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-(1H-imidazol-5-yl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 139341965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).