1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H30ClN5O2 — CID 55805496

IUPAC1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(C(=O)NC4CC4)c(Cl)c3)c12
InChIInChI=1S/C25H30ClN5O2/c1-13(2)20-12-18(21-14(3)30-31(22(21)29-20)25(4,5)6)24(33)28-16-9-10-17(19(26)11-16)23(32)27-15-7-8-15/h9-13,15H,7-8H2,1-6H3,(H,27,32)(H,28,33)
InChIKeyJQEQIBPOZUVYCH-UHFFFAOYSA-N
MW468.00 g/mol
LogP5.42
Rot. Bonds5

About 1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55805496) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55805496
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC Name1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(C(=O)NC4CC4)c(Cl)c3)c12
InChIInChI=1S/C25H30ClN5O2/c1-13(2)20-12-18(21-14(3)30-31(22(21)29-20)25(4,5)6)24(33)28-16-9-10-17(19(26)11-16)23(32)27-15-7-8-15/h9-13,15H,7-8H2,1-6H3,(H,27,32)(H,28,33)
InChIKeyJQEQIBPOZUVYCH-UHFFFAOYSA-N
XLogP5.42
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55878029
1-tert-butyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55779621
1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55758419
1-tert-butyl-3-methyl-6-propan-2-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55985444
N-(2-amino-2-methylpropyl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119628648
1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146102286
1-tert-butyl-3-methyl-6-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78884878
1-tert-butyl-3-methyl-6-propan-2-yl-N-quinolin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55756234
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119574445
1-tert-butyl-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782732
1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55852166
N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119478999

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55805496) is 1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(C(=O)NC4CC4)c(Cl)c3)c12.
What is the InChIKey of 1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JQEQIBPOZUVYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-13(2)20-12-18(21-14(3)30-31(22(21)29-20)25(4,5)6)24(33)28-16-9-10-17(19(26)11-16)23(32)27-15-7-8-15/h9-13,15H,7-8H2,1-6H3,(H,27,32)(H,28,33).
What are the key properties of 1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 468.00 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55805496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).