2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one

C20H17ClN10O2 — CID 175527759

IUPAC2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one
SMILESCc1nnc(-c2c(N)ncnc2N[C@@H](C)c2nc3cccc(Cl)c3c(=O)n2-c2cn[nH]c2)o1
InChIInChI=1S/C20H17ClN10O2/c1-9(27-17-15(16(22)23-8-24-17)19-30-29-10(2)33-19)18-28-13-5-3-4-12(21)14(13)20(32)31(18)11-6-25-26-7-11/h3-9H,1-2H3,(H,25,26)(H3,22,23,24,27)/t9-/m0/s1
InChIKeyCWYXWBWYKTWRSH-VIFPVBQESA-N
MW464.88 g/mol
LogP2.67
Rot. Bonds5

About 2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one

2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one (PubChem CID 175527759) has the molecular formula C20H17ClN10O2 and a molecular weight of 464.88 g/mol. Its IUPAC name is 2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one
PubChem CID175527759
Molecular FormulaC20H17ClN10O2
Molecular Weight464.88 g/mol
Exact Mass464.12
IUPAC Name2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one
SMILESCc1nnc(-c2c(N)ncnc2N[C@@H](C)c2nc3cccc(Cl)c3c(=O)n2-c2cn[nH]c2)o1
InChIInChI=1S/C20H17ClN10O2/c1-9(27-17-15(16(22)23-8-24-17)19-30-29-10(2)33-19)18-28-13-5-3-4-12(21)14(13)20(32)31(18)11-6-25-26-7-11/h3-9H,1-2H3,(H,25,26)(H3,22,23,24,27)/t9-/m0/s1
InChIKeyCWYXWBWYKTWRSH-VIFPVBQESA-N
XLogP2.67
TPSA166.32 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.88
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one 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

2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(2-hydroxycyclopropyl)quinazolin-4-one
CID 175391591
5-chloro-2-[1-[[2,6-diamino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-(1H-pyrazol-4-yl)quinazolin-4-one
CID 175527784
2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(3-hydroxycyclobutyl)quinazolin-4-one
CID 175391533
2-[1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-phenylquinazolin-4-one
CID 139327870
4-amino-6-[[(1S)-1-[5-chloro-4-oxo-3-(1H-pyrazol-5-yl)quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118575555
4-amino-6-[[(1S)-1-[3-(3-aminophenyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118571566
2-[1-[(6-amino-5-chloropyrimidin-4-yl)amino]ethyl]-3-(5-aminopyrazin-2-yl)-5-chloroquinazolin-4-one
CID 118574347
2-[1-[[2-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
CID 118493970
3-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-8-chloro-2-(5-cyclopropyl-1H-pyrazol-3-yl)isoquinolin-1-one
CID 175527693
2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one
CID 160762158
3-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-7-chloro-2-(1H-pyrazol-5-yl)isoquinolin-1-one
CID 175527718
3-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one
CID 122550104

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one?
The IUPAC name of 2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one (CID 175527759) is 2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one is Cc1nnc(-c2c(N)ncnc2N[C@@H](C)c2nc3cccc(Cl)c3c(=O)n2-c2cn[nH]c2)o1.
What is the InChIKey of 2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one?
The InChIKey is CWYXWBWYKTWRSH-VIFPVBQESA-N. The full InChI is InChI=1S/C20H17ClN10O2/c1-9(27-17-15(16(22)23-8-24-17)19-30-29-10(2)33-19)18-28-13-5-3-4-12(21)14(13)20(32)31(18)11-6-25-26-7-11/h3-9H,1-2H3,(H,25,26)(H3,22,23,24,27)/t9-/m0/s1.
What are the key properties of 2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one?
2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one has a molecular weight of 464.88 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-(1H-pyrazol-4-yl)quinazolin-4-one is sourced from PubChem (CID 175527759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).