[(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone

C24H25N5O3 — CID 135880070

IUPAC[(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1
InChIInChI=1S/C24H25N5O3/c1-17-21(23(30)28-11-13-31-14-12-28)22(29-24(27-17)25-16-26-29)19-7-9-20(10-8-19)32-15-18-5-3-2-4-6-18/h2-10,16,22H,11-15H2,1H3,(H,25,26,27)/t22-/m0/s1
InChIKeyAHGJCGMZLVHYKG-QFIPXVFZSA-N
MW431.50 g/mol
LogP3.00
Rot. Bonds5

About [(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone

[(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone (PubChem CID 135880070) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is [(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone
PubChem CID135880070
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name[(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone
SMILESCC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1
InChIInChI=1S/C24H25N5O3/c1-17-21(23(30)28-11-13-31-14-12-28)22(29-24(27-17)25-16-26-29)19-7-9-20(10-8-19)32-15-18-5-3-2-4-6-18/h2-10,16,22H,11-15H2,1H3,(H,25,26,27)/t22-/m0/s1
InChIKeyAHGJCGMZLVHYKG-QFIPXVFZSA-N
XLogP3.00
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone 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

[(7R)-2,5-dimethyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 136792427
[7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4973092
[(7S)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 137090300
benzyl 5-methyl-7-[4-[(4-methylphenyl)methoxy]phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135825657
(4-benzylpiperazin-1-yl)-[(7S)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
CID 137155426
benzyl 7-[4-[(4-chlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135825653
(5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone
CID 135616316
(7S)-N-(2-methoxyphenyl)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992995
(7R)-N-benzyl-7-[4-[(4-chlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136712937
1-[5-methyl-7-[4-(2-phenylethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 135825785
prop-2-enyl 5-methyl-7-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135805428
benzyl 7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2790854

Frequently Asked Questions

What is the IUPAC name of [(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone (CID 135880070) is [(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone is CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1.
What is the InChIKey of [(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is AHGJCGMZLVHYKG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17-21(23(30)28-11-13-31-14-12-28)22(29-24(27-17)25-16-26-29)19-7-9-20(10-8-19)32-15-18-5-3-2-4-6-18/h2-10,16,22H,11-15H2,1H3,(H,25,26,27)/t22-/m0/s1.
What are the key properties of [(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone?
[(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 431.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 135880070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).