[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H17N9O2 — CID 169166797

IUPAC[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@H]3c3ncc4ccccc4n3)o2)cn1
InChIInChI=1S/C21H17N9O2/c1-29-10-13(9-25-29)19-27-28-20(32-19)21(31)30-7-6-15-16(24-11-23-15)17(30)18-22-8-12-4-2-3-5-14(12)26-18/h2-5,8-11,17H,6-7H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyHWEFBPLEMKCLHZ-KRWDZBQOSA-N
MW427.43 g/mol
LogP1.92
Rot. Bonds3

About [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169166797) has the molecular formula C21H17N9O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169166797
Molecular FormulaC21H17N9O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@H]3c3ncc4ccccc4n3)o2)cn1
InChIInChI=1S/C21H17N9O2/c1-29-10-13(9-25-29)19-27-28-20(32-19)21(31)30-7-6-15-16(24-11-23-15)17(30)18-22-8-12-4-2-3-5-14(12)26-18/h2-5,8-11,17H,6-7H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyHWEFBPLEMKCLHZ-KRWDZBQOSA-N
XLogP1.92
TPSA131.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863087
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863079
[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169162913
[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166843
[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169164442
[5-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166620
[(4R)-4-(4-bromopyrazolo[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-oxadiazol-2-yl]methanone
CID 169165266
[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169166929
[4-(4-cyclopropylpyrazolo[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-oxadiazol-2-yl]methanone
CID 170333400
[(4S)-4-[7-(difluoromethyl)pyrazolo[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-oxadiazol-2-yl]methanone
CID 170334249
[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-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 170332647
[4-[4-(difluoromethoxy)pyrazolo[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-oxadiazol-2-yl]methanone
CID 170332811

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169166797) is [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@H]3c3ncc4ccccc4n3)o2)cn1.
What is the InChIKey of [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is HWEFBPLEMKCLHZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H17N9O2/c1-29-10-13(9-25-29)19-27-28-20(32-19)21(31)30-7-6-15-16(24-11-23-15)17(30)18-22-8-12-4-2-3-5-14(12)26-18/h2-5,8-11,17H,6-7H2,1H3,(H,23,24)/t17-/m0/s1.
What are the key properties of [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 427.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-quinazolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169166797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).