3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

C34H47N7O4S — CID 126741518

IUPAC3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESO=C(NS(=O)(=O)CCCN1CCOCC1)c1cc(N2CCC(N3CCCCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C34H47N7O4S/c42-34(37-46(43,44)24-8-15-38-20-22-45-23-21-38)29-25-30(40-18-13-27(14-19-40)39-16-5-2-6-17-39)31-32(26-9-7-10-26)36-41(33(31)35-29)28-11-3-1-4-12-28/h1,3-4,11-12,25-27H,2,5-10,13-24H2,(H,37,42)
InChIKeyQDOUBUQUHNHZSW-UHFFFAOYSA-N
MW649.86 g/mol
LogP3.92
Rot. Bonds10

About 3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741518) has the molecular formula C34H47N7O4S and a molecular weight of 649.86 g/mol. Its IUPAC name is 3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126741518
Molecular FormulaC34H47N7O4S
Molecular Weight649.86 g/mol
Exact Mass649.34
IUPAC Name3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESO=C(NS(=O)(=O)CCCN1CCOCC1)c1cc(N2CCC(N3CCCCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C34H47N7O4S/c42-34(37-46(43,44)24-8-15-38-20-22-45-23-21-38)29-25-30(40-18-13-27(14-19-40)39-16-5-2-6-17-39)31-32(26-9-7-10-26)36-41(33(31)35-29)28-11-3-1-4-12-28/h1,3-4,11-12,25-27H,2,5-10,13-24H2,(H,37,42)
InChIKeyQDOUBUQUHNHZSW-UHFFFAOYSA-N
XLogP3.92
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.86
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide (CID 126741518) is 3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is O=C(NS(=O)(=O)CCCN1CCOCC1)c1cc(N2CCC(N3CCCCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is QDOUBUQUHNHZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47N7O4S/c42-34(37-46(43,44)24-8-15-38-20-22-45-23-21-38)29-25-30(40-18-13-27(14-19-40)39-16-5-2-6-17-39)31-32(26-9-7-10-26)36-41(33(31)35-29)28-11-3-1-4-12-28/h1,3-4,11-12,25-27H,2,5-10,13-24H2,(H,37,42).
What are the key properties of 3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 649.86 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-(3-morpholin-4-ylpropylsulfonyl)-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).