N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C24H31N5O4S — CID 16574118

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C24H31N5O4S/c1-16(2)22-13-20(21-15-26-29(17(3)4)23(21)27-22)24(30)25-14-18-5-7-19(8-6-18)34(31,32)28-9-11-33-12-10-28/h5-8,13,15-17H,9-12,14H2,1-4H3,(H,25,30)
InChIKeyCRMYVQQMCYILAU-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.09
Rot. Bonds7

About N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16574118) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16574118
Molecular FormulaC24H31N5O4S
Molecular Weight485.61 g/mol
Exact Mass485.21
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C24H31N5O4S/c1-16(2)22-13-20(21-15-26-29(17(3)4)23(21)27-22)24(30)25-14-18-5-7-19(8-6-18)34(31,32)28-9-11-33-12-10-28/h5-8,13,15-17H,9-12,14H2,1-4H3,(H,25,30)
InChIKeyCRMYVQQMCYILAU-UHFFFAOYSA-N
XLogP3.09
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,6-di(propan-2-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55657060
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38542414
N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 60539505
N-[(3-carbamoylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32636840
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
N-(2-ethyl-2-hydroxybutyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 111463491
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 134030106

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 16574118) is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CRMYVQQMCYILAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S/c1-16(2)22-13-20(21-15-26-29(17(3)4)23(21)27-22)24(30)25-14-18-5-7-19(8-6-18)34(31,32)28-9-11-33-12-10-28/h5-8,13,15-17H,9-12,14H2,1-4H3,(H,25,30).
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16574118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).