1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one

C28H32N6O2 — CID 89304690

IUPAC1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one
SMILESC=Cc1ncc2c(-c3cc(N)c(N4CCN(C(=O)CCO)[C@H](C5CC5)C4)nc3C3CC3)cccc2n1
InChIInChI=1S/C28H32N6O2/c1-2-25-30-15-21-19(4-3-5-23(21)31-25)20-14-22(29)28(32-27(20)18-8-9-18)33-11-12-34(26(36)10-13-35)24(16-33)17-6-7-17/h2-5,14-15,17-18,24,35H,1,6-13,16,29H2/t24-/m0/s1
InChIKeyOFLINAJBVLQDAK-DEOSSOPVSA-N
MW484.60 g/mol
LogP3.60
Rot. Bonds7

About 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one

1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one (PubChem CID 89304690) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one
PubChem CID89304690
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one
SMILESC=Cc1ncc2c(-c3cc(N)c(N4CCN(C(=O)CCO)[C@H](C5CC5)C4)nc3C3CC3)cccc2n1
InChIInChI=1S/C28H32N6O2/c1-2-25-30-15-21-19(4-3-5-23(21)31-25)20-14-22(29)28(32-27(20)18-8-9-18)33-11-12-34(26(36)10-13-35)24(16-33)17-6-7-17/h2-5,14-15,17-18,24,35H,1,6-13,16,29H2/t24-/m0/s1
InChIKeyOFLINAJBVLQDAK-DEOSSOPVSA-N
XLogP3.60
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300134
1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinoxalin-5-yl-2-pyridinyl)-2-cyclopropylpiperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 71135469
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,8-naphthyridin-4-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-hydroxypropan-1-one
CID 89304698
1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 71136820
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one
CID 89307459
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenylpyridazin-4-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-2-methoxyethanone
CID 89304917
6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile
CID 90305585
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenyl-3-pyridinyl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300162
1-[(2R)-4-[3-amino-6-cyclopropyl-5-[2-[(E)-2-(2-ethenylquinoxalin-5-yl)ethenyl]quinoxalin-5-yl]-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300123
6-cyclopropyl-2-[3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-5-(6-ethenylpyridazin-4-yl)pyridine-3-carbonitrile
CID 89288401
6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-5-(6-ethenylpyridazin-4-yl)pyridine-3-carbonitrile
CID 86728556
1-[(2R)-4-[3-amino-6-cyclopropyl-5-[(4-ethenyl-2-pyridinyl)amino]-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-(oxetan-2-yl)propan-1-one
CID 89307521

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one (CID 89304690) is 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one is C=Cc1ncc2c(-c3cc(N)c(N4CCN(C(=O)CCO)[C@H](C5CC5)C4)nc3C3CC3)cccc2n1.
What is the InChIKey of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one?
The InChIKey is OFLINAJBVLQDAK-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-2-25-30-15-21-19(4-3-5-23(21)31-25)20-14-22(29)28(32-27(20)18-8-9-18)33-11-12-34(26(36)10-13-35)24(16-33)17-6-7-17/h2-5,14-15,17-18,24,35H,1,6-13,16,29H2/t24-/m0/s1.
What are the key properties of 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one?
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 484.60 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 89304690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).