1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C27H25N7O3 — CID 118058725

IUPAC1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cnccn4)ccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C27H25N7O3/c35-27-33(24-13-28-7-5-23(24)34(27)19-2-3-19)14-25-31-21-4-1-18(22-12-29-8-9-30-22)11-20(21)26(32-25)37-16-17-6-10-36-15-17/h1,4-5,7-9,11-13,17,19H,2-3,6,10,14-16H2
InChIKeyCLCPTAVSFBCWDB-UHFFFAOYSA-N
MW495.54 g/mol
LogP3.40
Rot. Bonds7

About 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 118058725) has the molecular formula C27H25N7O3 and a molecular weight of 495.54 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID118058725
Molecular FormulaC27H25N7O3
Molecular Weight495.54 g/mol
Exact Mass495.20
IUPAC Name1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cnccn4)ccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C27H25N7O3/c35-27-33(24-13-28-7-5-23(24)34(27)19-2-3-19)14-25-31-21-4-1-18(22-12-29-8-9-30-22)11-20(21)26(32-25)37-16-17-6-10-36-15-17/h1,4-5,7-9,11-13,17,19H,2-3,6,10,14-16H2
InChIKeyCLCPTAVSFBCWDB-UHFFFAOYSA-N
XLogP3.40
TPSA109.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 118058725) is 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cnccn4)ccc3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is CLCPTAVSFBCWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O3/c35-27-33(24-13-28-7-5-23(24)34(27)19-2-3-19)14-25-31-21-4-1-18(22-12-29-8-9-30-22)11-20(21)26(32-25)37-16-17-6-10-36-15-17/h1,4-5,7-9,11-13,17,19H,2-3,6,10,14-16H2.
What are the key properties of 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 495.54 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118058725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).