N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide

C23H25N5O — CID 136721801

IUPACN-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
SMILESCc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nc(NC(=O)C(C)C)nc3N2)cc1
InChIInChI=1S/C23H25N5O/c1-14(2)21(29)25-22-26-23-24-19(17-9-5-15(3)6-10-17)13-20(28(23)27-22)18-11-7-16(4)8-12-18/h5-14,20H,1-4H3,(H2,24,25,26,27,29)/t20-/m0/s1
InChIKeyUOMBLIXXJAZCPK-FQEVSTJZSA-N
MW387.49 g/mol
LogP4.55
Rot. Bonds4

About N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide

N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 136721801) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
PubChem CID136721801
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
SMILESCc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nc(NC(=O)C(C)C)nc3N2)cc1
InChIInChI=1S/C23H25N5O/c1-14(2)21(29)25-22-26-23-24-19(17-9-5-15(3)6-10-17)13-20(28(23)27-22)18-11-7-16(4)8-12-18/h5-14,20H,1-4H3,(H2,24,25,26,27,29)/t20-/m0/s1
InChIKeyUOMBLIXXJAZCPK-FQEVSTJZSA-N
XLogP4.55
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(7R)-5,7-bis(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
CID 136721594
N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 135970512
N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 136915736
N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
CID 136721682
4-chloro-N-[(7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
CID 136721883
N-[5,7-bis(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide;hydrochloride
CID 135942064
N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
CID 135970520
N-[7-(4-chlorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]butanamide
CID 135970527
N-[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide
CID 3804390
2-fluoro-N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
CID 135970494
3-chloro-N-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
CID 135970496
N-[5-(4-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide
CID 135970482

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide (CID 136721801) is N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide is Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nc(NC(=O)C(C)C)nc3N2)cc1.
What is the InChIKey of N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is UOMBLIXXJAZCPK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N5O/c1-14(2)21(29)25-22-26-23-24-19(17-9-5-15(3)6-10-17)13-20(28(23)27-22)18-11-7-16(4)8-12-18/h5-14,20H,1-4H3,(H2,24,25,26,27,29)/t20-/m0/s1.
What are the key properties of N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide?
N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 387.49 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 136721801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).