(5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C20H16ClFN6OS — CID 169167301

IUPAC(5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cnn(C2CC2)c1Cl)N1CCc2[nH]cnc2C1c1nc2c(F)cccc2s1
InChIInChI=1S/C20H16ClFN6OS/c21-18-11(8-25-28(18)10-4-5-10)20(29)27-7-6-13-16(24-9-23-13)17(27)19-26-15-12(22)2-1-3-14(15)30-19/h1-3,8-10,17H,4-7H2,(H,23,24)
InChIKeyAICFQDKHPIBZRO-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.13
Rot. Bonds3

About (5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169167301) has the molecular formula C20H16ClFN6OS and a molecular weight of 442.91 g/mol. Its IUPAC name is (5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169167301
Molecular FormulaC20H16ClFN6OS
Molecular Weight442.91 g/mol
Exact Mass442.08
IUPAC Name(5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cnn(C2CC2)c1Cl)N1CCc2[nH]cnc2C1c1nc2c(F)cccc2s1
InChIInChI=1S/C20H16ClFN6OS/c21-18-11(8-25-28(18)10-4-5-10)20(29)27-7-6-13-16(24-9-23-13)17(27)19-26-15-12(22)2-1-3-14(15)30-19/h1-3,8-10,17H,4-7H2,(H,23,24)
InChIKeyAICFQDKHPIBZRO-UHFFFAOYSA-N
XLogP4.13
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169167026
(E)-3-amino-1-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)prop-2-en-1-one
CID 169167277
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-phenyl-1,3-thiazol-2-yl)methanone
CID 169167470
3-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 176763589
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 169167488
3-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 169167557
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 169167559
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2,2-difluorocyclopropyl)methanone
CID 169167695
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 169167043
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-cyclopropyl-1,3-thiazol-5-yl)methanone
CID 176763637
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methanone
CID 169167068
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone
CID 169167637

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169167301) is (5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1cnn(C2CC2)c1Cl)N1CCc2[nH]cnc2C1c1nc2c(F)cccc2s1.
What is the InChIKey of (5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is AICFQDKHPIBZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6OS/c21-18-11(8-25-28(18)10-4-5-10)20(29)27-7-6-13-16(24-9-23-13)17(27)19-26-15-12(22)2-1-3-14(15)30-19/h1-3,8-10,17H,4-7H2,(H,23,24).
What are the key properties of (5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 442.91 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169167301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).