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

C20H17N9OS — CID 169165325

IUPAC[5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1ccc(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3cc4ccccn4n3)s2)n1
InChIInChI=1S/C20H17N9OS/c1-27-8-5-14(25-27)18-23-24-19(31-18)20(30)28-9-6-13-16(22-11-21-13)17(28)15-10-12-4-2-3-7-29(12)26-15/h2-5,7-8,10-11,17H,6,9H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyOYIKVYDLHXHXTA-KRWDZBQOSA-N
MW431.49 g/mol
LogP2.10
Rot. Bonds3

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

[5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169165325) has the molecular formula C20H17N9OS and a molecular weight of 431.49 g/mol. Its IUPAC name is [5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169165325
Molecular FormulaC20H17N9OS
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC Name[5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1ccc(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3cc4ccccn4n3)s2)n1
InChIInChI=1S/C20H17N9OS/c1-27-8-5-14(25-27)18-23-24-19(31-18)20(30)28-9-6-13-16(22-11-21-13)17(28)15-10-12-4-2-3-7-29(12)26-15/h2-5,7-8,10-11,17H,6,9H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyOYIKVYDLHXHXTA-KRWDZBQOSA-N
XLogP2.10
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[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

(3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170193642
(3-amino-1-methylpyrazol-5-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170333809
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanone
CID 169164992
(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1,3-thiazol-5-yl)methanone
CID 170332717
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170332771
(2-ethylpyrazol-3-yl)-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170384831
[2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170333541
(2-propan-2-ylpyrazol-3-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333490
[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170332838
[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165929
[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165334
[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 169166008

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169165325) is [5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cn1ccc(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3cc4ccccn4n3)s2)n1.
What is the InChIKey of [5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is OYIKVYDLHXHXTA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17N9OS/c1-27-8-5-14(25-27)18-23-24-19(31-18)20(30)28-9-6-13-16(22-11-21-13)17(28)15-10-12-4-2-3-7-29(12)26-15/h2-5,7-8,10-11,17H,6,9H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of [5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 431.49 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169165325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).