6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide

C21H25N5O2 — CID 69028720

IUPAC6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(C)C)c2ccc(NC(=O)c3ccc(C)cc3)nc21
InChIInChI=1S/C21H25N5O2/c1-5-12-26-19-16(18(25-26)21(28)22-13(2)3)10-11-17(23-19)24-20(27)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3,(H,22,28)(H,23,24,27)
InChIKeyFMBSBBCYWXFQAY-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.54
Rot. Bonds6

About 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide

6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 69028720) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID69028720
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(C)C)c2ccc(NC(=O)c3ccc(C)cc3)nc21
InChIInChI=1S/C21H25N5O2/c1-5-12-26-19-16(18(25-26)21(28)22-13(2)3)10-11-17(23-19)24-20(27)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3,(H,22,28)(H,23,24,27)
InChIKeyFMBSBBCYWXFQAY-UHFFFAOYSA-N
XLogP3.54
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide (CID 69028720) is 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide is CCCn1nc(C(=O)NC(C)C)c2ccc(NC(=O)c3ccc(C)cc3)nc21.
What is the InChIKey of 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is FMBSBBCYWXFQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-5-12-26-19-16(18(25-26)21(28)22-13(2)3)10-11-17(23-19)24-20(27)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3,(H,22,28)(H,23,24,27).
What are the key properties of 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide?
6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 69028720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).