1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C22H18N6OS — CID 169165934

IUPAC1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccn2nc([C@H]3c4nc[nH]c4CCN3C(=O)c3nc4ccccc4s3)cc12
InChIInChI=1S/C22H18N6OS/c1-13-5-4-9-28-17(13)11-16(26-28)20-19-15(23-12-24-19)8-10-27(20)22(29)21-25-14-6-2-3-7-18(14)30-21/h2-7,9,11-12,20H,8,10H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyBENOKIQPGXHGAK-FQEVSTJZSA-N
MW414.49 g/mol
LogP3.76
Rot. Bonds2

About 1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169165934) has the molecular formula C22H18N6OS and a molecular weight of 414.49 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169165934
Molecular FormulaC22H18N6OS
Molecular Weight414.49 g/mol
Exact Mass414.13
IUPAC Name1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccn2nc([C@H]3c4nc[nH]c4CCN3C(=O)c3nc4ccccc4s3)cc12
InChIInChI=1S/C22H18N6OS/c1-13-5-4-9-28-17(13)11-16(26-28)20-19-15(23-12-24-19)8-10-27(20)22(29)21-25-14-6-2-3-7-18(14)30-21/h2-7,9,11-12,20H,8,10H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyBENOKIQPGXHGAK-FQEVSTJZSA-N
XLogP3.76
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333239
[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 170333082
(5-chloro-2-methyl-1,2,4-triazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332439
(2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170194057
[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169166144
(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332218
[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333256
[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332062
[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332448
[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 170333812
[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169308432
(2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166408

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169165934) is 1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1cccn2nc([C@H]3c4nc[nH]c4CCN3C(=O)c3nc4ccccc4s3)cc12.
What is the InChIKey of 1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is BENOKIQPGXHGAK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H18N6OS/c1-13-5-4-9-28-17(13)11-16(26-28)20-19-15(23-12-24-19)8-10-27(20)22(29)21-25-14-6-2-3-7-18(14)30-21/h2-7,9,11-12,20H,8,10H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of 1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 414.49 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169165934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).