1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone

C22H25N5O — CID 159849157

IUPAC1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone
SMILESO=C(Cc1ncc2ccc(-c3cnc4n3CCCC4)cc2n1)[C@@H]1CCCNC1
InChIInChI=1S/C22H25N5O/c28-20(17-4-3-8-23-12-17)11-21-24-13-16-7-6-15(10-18(16)26-21)19-14-25-22-5-1-2-9-27(19)22/h6-7,10,13-14,17,23H,1-5,8-9,11-12H2/t17-/m1/s1
InChIKeyNPRYBMOAQRGYGM-QGZVFWFLSA-N
MW375.48 g/mol
LogP2.94
Rot. Bonds4

About 1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone

1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone (PubChem CID 159849157) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone
PubChem CID159849157
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone
SMILESO=C(Cc1ncc2ccc(-c3cnc4n3CCCC4)cc2n1)[C@@H]1CCCNC1
InChIInChI=1S/C22H25N5O/c28-20(17-4-3-8-23-12-17)11-21-24-13-16-7-6-15(10-18(16)26-21)19-14-25-22-5-1-2-9-27(19)22/h6-7,10,13-14,17,23H,1-5,8-9,11-12H2/t17-/m1/s1
InChIKeyNPRYBMOAQRGYGM-QGZVFWFLSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone
CID 149124301
2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone
CID 161367974
1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone
CID 157306288
1-(4,4-difluorocyclohexyl)-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147773317
5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile
CID 147567938
1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone
CID 146993840
N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)piperidine-3-carboxamide;dihydrochloride
CID 119829247
1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone
CID 153047803
(3R)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]piperidine-3-carboxamide
CID 138590972
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
(3R)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]piperidine-3-carboxamide
CID 138587848
2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone
CID 116548022

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone?
The IUPAC name of 1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone (CID 159849157) is 1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone.
What is the SMILES notation for 1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone?
The canonical SMILES for 1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone is O=C(Cc1ncc2ccc(-c3cnc4n3CCCC4)cc2n1)[C@@H]1CCCNC1.
What is the InChIKey of 1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone?
The InChIKey is NPRYBMOAQRGYGM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O/c28-20(17-4-3-8-23-12-17)11-21-24-13-16-7-6-15(10-18(16)26-21)19-14-25-22-5-1-2-9-27(19)22/h6-7,10,13-14,17,23H,1-5,8-9,11-12H2/t17-/m1/s1.
What are the key properties of 1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone?
1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone has a molecular weight of 375.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone is sourced from PubChem (CID 159849157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).