N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C16H14N6OS — CID 156824431

IUPACN-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(Cn2ccs/c2=N/C(=O)c2c[nH]c3ncccc23)cn1
InChIInChI=1S/C16H14N6OS/c1-21-9-11(7-19-21)10-22-5-6-24-16(22)20-15(23)13-8-18-14-12(13)3-2-4-17-14/h2-9H,10H2,1H3,(H,17,18)/b20-16+
InChIKeyFDUSGEBALGWRDA-CAPFRKAQSA-N
MW338.40 g/mol
LogP1.95
Rot. Bonds3

About N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 156824431) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID156824431
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC NameN-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(Cn2ccs/c2=N/C(=O)c2c[nH]c3ncccc23)cn1
InChIInChI=1S/C16H14N6OS/c1-21-9-11(7-19-21)10-22-5-6-24-16(22)20-15(23)13-8-18-14-12(13)3-2-4-17-14/h2-9H,10H2,1H3,(H,17,18)/b20-16+
InChIKeyFDUSGEBALGWRDA-CAPFRKAQSA-N
XLogP1.95
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858750
N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824247
N-(3-pyridin-2-yl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824388
N-[3-(3-chlorophenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824445
tert-butyl 4-[2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylimino)-1,3-thiazol-3-yl]piperidine-1-carboxylate
CID 166523118
1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591530
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide
CID 9194190
N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167458161
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one
CID 62678587
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-oxo-3H-phthalazine-1-carboxamide
CID 24653558

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 156824431) is N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is Cn1cc(Cn2ccs/c2=N/C(=O)c2c[nH]c3ncccc23)cn1.
What is the InChIKey of N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is FDUSGEBALGWRDA-CAPFRKAQSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-21-9-11(7-19-21)10-22-5-6-24-16(22)20-15(23)13-8-18-14-12(13)3-2-4-17-14/h2-9H,10H2,1H3,(H,17,18)/b20-16+.
What are the key properties of N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156824431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).