N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide

C22H15ClN6O3S — CID 90412056

IUPACN-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cnc3nc(-c4cc(NC(=O)c5ccco5)ccc4Cl)[nH]c3c2)s1
InChIInChI=1S/C22H15ClN6O3S/c1-11-9-25-22(33-11)21(31)27-13-8-16-19(24-10-13)29-18(28-16)14-7-12(4-5-15(14)23)26-20(30)17-3-2-6-32-17/h2-10H,1H3,(H,26,30)(H,27,31)(H,24,28,29)
InChIKeyINHSKEBMTWPNJV-UHFFFAOYSA-N
MW478.92 g/mol
LogP5.14
Rot. Bonds5

About N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide

N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 90412056) has the molecular formula C22H15ClN6O3S and a molecular weight of 478.92 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID90412056
Molecular FormulaC22H15ClN6O3S
Molecular Weight478.92 g/mol
Exact Mass478.06
IUPAC NameN-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cnc3nc(-c4cc(NC(=O)c5ccco5)ccc4Cl)[nH]c3c2)s1
InChIInChI=1S/C22H15ClN6O3S/c1-11-9-25-22(33-11)21(31)27-13-8-16-19(24-10-13)29-18(28-16)14-7-12(4-5-15(14)23)26-20(30)17-3-2-6-32-17/h2-10H,1H3,(H,26,30)(H,27,31)(H,24,28,29)
InChIKeyINHSKEBMTWPNJV-UHFFFAOYSA-N
XLogP5.14
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.92
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide (CID 90412056) is N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)Nc2cnc3nc(-c4cc(NC(=O)c5ccco5)ccc4Cl)[nH]c3c2)s1.
What is the InChIKey of N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is INHSKEBMTWPNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN6O3S/c1-11-9-25-22(33-11)21(31)27-13-8-16-19(24-10-13)29-18(28-16)14-7-12(4-5-15(14)23)26-20(30)17-3-2-6-32-17/h2-10H,1H3,(H,26,30)(H,27,31)(H,24,28,29).
What are the key properties of N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide?
N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 478.92 g/mol, XLogP of 5.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 90412056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).