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

C18H17ClN6O — CID 139331435

IUPAC7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
SMILESCc1onc(-c2nn(C(C)C)c3c(Cl)cnc(N)c23)c1-c1ccccn1
InChIInChI=1S/C18H17ClN6O/c1-9(2)25-17-11(19)8-22-18(20)14(17)15(23-25)16-13(10(3)26-24-16)12-6-4-5-7-21-12/h4-9H,1-3H3,(H2,20,22)
InChIKeyIEHQGSZQFZCIBF-UHFFFAOYSA-N
MW368.83 g/mol
LogP4.27
Rot. Bonds3

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

7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine (PubChem CID 139331435) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is 7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
PubChem CID139331435
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
SMILESCc1onc(-c2nn(C(C)C)c3c(Cl)cnc(N)c23)c1-c1ccccn1
InChIInChI=1S/C18H17ClN6O/c1-9(2)25-17-11(19)8-22-18(20)14(17)15(23-25)16-13(10(3)26-24-16)12-6-4-5-7-21-12/h4-9H,1-3H3,(H2,20,22)
InChIKeyIEHQGSZQFZCIBF-UHFFFAOYSA-N
XLogP4.27
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-Benzyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592021
3-(5-Phenyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592031
1-Propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126592040
N-[(3-chlorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165980
US11472802, Example 69
CID 139331381
US11472802, Example 70
CID 139341979
US11472802, Example 71
CID 139341981
US11472802, Example 11
CID 139341986
3-(3-chloropyridin-4-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580093
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46883999
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,2-benzoxazol-3-ylmethyl)pyrazole-4-carboxamide
CID 66723614
1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044918

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine (CID 139331435) is 7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine is Cc1onc(-c2nn(C(C)C)c3c(Cl)cnc(N)c23)c1-c1ccccn1.
What is the InChIKey of 7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The InChIKey is IEHQGSZQFZCIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c1-9(2)25-17-11(19)8-22-18(20)14(17)15(23-25)16-13(10(3)26-24-16)12-6-4-5-7-21-12/h4-9H,1-3H3,(H2,20,22).
What are the key properties of 7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine has a molecular weight of 368.83 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(5-methyl-4-pyridin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 139331435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).