6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H27N5O2 — CID 9406487

IUPAC6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C23H27N5O2/c1-14(2)28-21-19(12-25-28)18(11-20(26-21)16-9-10-16)23(30)27(4)13-15-5-7-17(8-6-15)22(29)24-3/h5-8,11-12,14,16H,9-10,13H2,1-4H3,(H,24,29)
InChIKeyMQFITGNBZPWURT-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.52
Rot. Bonds6

About 6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9406487) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID9406487
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C23H27N5O2/c1-14(2)28-21-19(12-25-28)18(11-20(26-21)16-9-10-16)23(30)27(4)13-15-5-7-17(8-6-15)22(29)24-3/h5-8,11-12,14,16H,9-10,13H2,1-4H3,(H,24,29)
InChIKeyMQFITGNBZPWURT-UHFFFAOYSA-N
XLogP3.52
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9406487) is 6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1.
What is the InChIKey of 6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MQFITGNBZPWURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14(2)28-21-19(12-25-28)18(11-20(26-21)16-9-10-16)23(30)27(4)13-15-5-7-17(8-6-15)22(29)24-3/h5-8,11-12,14,16H,9-10,13H2,1-4H3,(H,24,29).
What are the key properties of 6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9406487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).