N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide

C22H16N6OS — CID 46975756

IUPACN-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCn1cc(-c2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)n2)cn1
InChIInChI=1S/C22H16N6OS/c1-28-12-14(11-24-28)20-13-30-22(26-20)27-21(29)16-10-19(18-8-4-5-9-23-18)25-17-7-3-2-6-15(16)17/h2-13H,1H3,(H,26,27,29)
InChIKeyFLHZRUITJKFCAP-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.41
Rot. Bonds4

About N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide

N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 46975756) has the molecular formula C22H16N6OS and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID46975756
Molecular FormulaC22H16N6OS
Molecular Weight412.48 g/mol
Exact Mass412.11
IUPAC NameN-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCn1cc(-c2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)n2)cn1
InChIInChI=1S/C22H16N6OS/c1-28-12-14(11-24-28)20-13-30-22(26-20)27-21(29)16-10-19(18-8-4-5-9-23-18)25-17-7-3-2-6-15(16)17/h2-13H,1H3,(H,26,27,29)
InChIKeyFLHZRUITJKFCAP-UHFFFAOYSA-N
XLogP4.41
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 43036587
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512920
4-methoxy-1-methyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 91813993

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 46975756) is N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide is Cn1cc(-c2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)n2)cn1.
What is the InChIKey of N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is FLHZRUITJKFCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6OS/c1-28-12-14(11-24-28)20-13-30-22(26-20)27-21(29)16-10-19(18-8-4-5-9-23-18)25-17-7-3-2-6-15(16)17/h2-13H,1H3,(H,26,27,29).
What are the key properties of N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 46975756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).