N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

C27H26Cl2N6O3S — CID 166632905

IUPACN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC1CCN(CC2CC2)C1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C27H26Cl2N6O3S/c28-22-2-1-3-24(25(22)29)39(37,38)34-18-8-6-17(7-9-18)23-12-20(21-13-30-33-26(21)32-23)27(36)31-19-10-11-35(15-19)14-16-4-5-16/h1-3,6-9,12-13,16,19,34H,4-5,10-11,14-15H2,(H,31,36)(H,30,32,33)
InChIKeyPMCDRQWMEQBGOG-UHFFFAOYSA-N
MW585.52 g/mol
LogP4.95
Rot. Bonds8

About N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166632905) has the molecular formula C27H26Cl2N6O3S and a molecular weight of 585.52 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166632905
Molecular FormulaC27H26Cl2N6O3S
Molecular Weight585.52 g/mol
Exact Mass584.12
IUPAC NameN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC1CCN(CC2CC2)C1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C27H26Cl2N6O3S/c28-22-2-1-3-24(25(22)29)39(37,38)34-18-8-6-17(7-9-18)23-12-20(21-13-30-33-26(21)32-23)27(36)31-19-10-11-35(15-19)14-16-4-5-16/h1-3,6-9,12-13,16,19,34H,4-5,10-11,14-15H2,(H,31,36)(H,30,32,33)
InChIKeyPMCDRQWMEQBGOG-UHFFFAOYSA-N
XLogP4.95
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.52
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166632905) is N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(NC1CCN(CC2CC2)C1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PMCDRQWMEQBGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N6O3S/c28-22-2-1-3-24(25(22)29)39(37,38)34-18-8-6-17(7-9-18)23-12-20(21-13-30-33-26(21)32-23)27(36)31-19-10-11-35(15-19)14-16-4-5-16/h1-3,6-9,12-13,16,19,34H,4-5,10-11,14-15H2,(H,31,36)(H,30,32,33).
What are the key properties of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 585.52 g/mol, XLogP of 4.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166632905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).