3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

C27H34N6O4S — CID 126741687

IUPAC3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C27H34N6O4S/c1-38(35,36)30-27(34)22-18-23(32-12-10-20(11-13-32)31-14-16-37-17-15-31)24-25(19-6-5-7-19)29-33(26(24)28-22)21-8-3-2-4-9-21/h2-4,8-9,18-20H,5-7,10-17H2,1H3,(H,30,34)
InChIKeyXYBQSRRFUUGKSB-UHFFFAOYSA-N
MW538.67 g/mol
LogP2.68
Rot. Bonds6

About 3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741687) has the molecular formula C27H34N6O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is 3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126741687
Molecular FormulaC27H34N6O4S
Molecular Weight538.67 g/mol
Exact Mass538.24
IUPAC Name3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C27H34N6O4S/c1-38(35,36)30-27(34)22-18-23(32-12-10-20(11-13-32)31-14-16-37-17-15-31)24-25(19-6-5-7-19)29-33(26(24)28-22)21-8-3-2-4-9-21/h2-4,8-9,18-20H,5-7,10-17H2,1H3,(H,30,34)
InChIKeyXYBQSRRFUUGKSB-UHFFFAOYSA-N
XLogP2.68
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 126741687) is 3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is CS(=O)(=O)NC(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is XYBQSRRFUUGKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S/c1-38(35,36)30-27(34)22-18-23(32-12-10-20(11-13-32)31-14-16-37-17-15-31)24-25(19-6-5-7-19)29-33(26(24)28-22)21-8-3-2-4-9-21/h2-4,8-9,18-20H,5-7,10-17H2,1H3,(H,30,34).
What are the key properties of 3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).