N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide

C23H20F2N8O2S — CID 134456402

IUPACN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide
SMILESCN(c1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12)S(=O)(=O)C1CC1
InChIInChI=1S/C23H20F2N8O2S/c1-33(36(34,35)14-9-10-14)17-7-3-2-6-15(17)28-16-11-19(29-18-8-4-5-13(12-26)27-18)30-22-20(16)31-23(32-22)21(24)25/h2-8,11,14,21H,9-10H2,1H3,(H3,27,28,29,30,31,32)
InChIKeyAGEQRQOQDQAKEH-UHFFFAOYSA-N
MW510.53 g/mol
LogP4.58
Rot. Bonds8

About N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide

N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide (PubChem CID 134456402) has the molecular formula C23H20F2N8O2S and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide
PubChem CID134456402
Molecular FormulaC23H20F2N8O2S
Molecular Weight510.53 g/mol
Exact Mass510.14
IUPAC NameN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide
SMILESCN(c1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12)S(=O)(=O)C1CC1
InChIInChI=1S/C23H20F2N8O2S/c1-33(36(34,35)14-9-10-14)17-7-3-2-6-15(17)28-16-11-19(29-18-8-4-5-13(12-26)27-18)30-22-20(16)31-23(32-22)21(24)25/h2-8,11,14,21H,9-10H2,1H3,(H3,27,28,29,30,31,32)
InChIKeyAGEQRQOQDQAKEH-UHFFFAOYSA-N
XLogP4.58
TPSA139.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.53
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide (CID 134456402) is N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide is CN(c1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12)S(=O)(=O)C1CC1.
What is the InChIKey of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide?
The InChIKey is AGEQRQOQDQAKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N8O2S/c1-33(36(34,35)14-9-10-14)17-7-3-2-6-15(17)28-16-11-19(29-18-8-4-5-13(12-26)27-18)30-22-20(16)31-23(32-22)21(24)25/h2-8,11,14,21H,9-10H2,1H3,(H3,27,28,29,30,31,32).
What are the key properties of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide?
N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide has a molecular weight of 510.53 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 134456402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).