[(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C20H14N6O2 — CID 169163115

IUPAC[(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1Cc2[nH]cnc2[C@@H]1c1nc2ccccc2o1
InChIInChI=1S/C20H14N6O2/c27-20(12-9-23-26-8-4-3-6-15(12)26)25-10-14-17(22-11-21-14)18(25)19-24-13-5-1-2-7-16(13)28-19/h1-9,11,18H,10H2,(H,21,22)/t18-/m1/s1
InChIKeyMSZFGSVVBLEWQW-GOSISDBHSA-N
MW370.37 g/mol
LogP2.94
Rot. Bonds2

About [(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 169163115) has the molecular formula C20H14N6O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is [(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID169163115
Molecular FormulaC20H14N6O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Name[(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1Cc2[nH]cnc2[C@@H]1c1nc2ccccc2o1
InChIInChI=1S/C20H14N6O2/c27-20(12-9-23-26-8-4-3-6-15(12)26)25-10-14-17(22-11-21-14)18(25)19-24-13-5-1-2-7-16(13)28-19/h1-9,11,18H,10H2,(H,21,22)/t18-/m1/s1
InChIKeyMSZFGSVVBLEWQW-GOSISDBHSA-N
XLogP2.94
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170144965
[(4R)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 177297367
[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
[(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
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 177297634
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
(6-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170333991
[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 169165475
[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863234
[6-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyridin-3-yl]-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170332977
1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 169166586
[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170333529

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 169163115) is [(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is O=C(c1cnn2ccccc12)N1Cc2[nH]cnc2[C@@H]1c1nc2ccccc2o1.
What is the InChIKey of [(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is MSZFGSVVBLEWQW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H14N6O2/c27-20(12-9-23-26-8-4-3-6-15(12)26)25-10-14-17(22-11-21-14)18(25)19-24-13-5-1-2-7-16(13)28-19/h1-9,11,18H,10H2,(H,21,22)/t18-/m1/s1.
What are the key properties of [(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 370.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(1,3-benzoxazol-2-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 169163115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).