1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide

C24H23N5O3 — CID 58448149

IUPAC1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide
SMILESCc1cccc(OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)c1NC(=O)C1(C)CC1
InChIInChI=1S/C24H23N5O3/c1-15-7-6-10-18(20(15)26-22(31)24(2)11-12-24)32-14-17-13-19(30)29-23(25-17)27-21(28-29)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,26,31)(H,25,27,28)
InChIKeyONEYDIULUCPOSC-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.71
Rot. Bonds6

About 1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide

1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide (PubChem CID 58448149) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide
PubChem CID58448149
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide
SMILESCc1cccc(OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)c1NC(=O)C1(C)CC1
InChIInChI=1S/C24H23N5O3/c1-15-7-6-10-18(20(15)26-22(31)24(2)11-12-24)32-14-17-13-19(30)29-23(25-17)27-21(28-29)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,26,31)(H,25,27,28)
InChIKeyONEYDIULUCPOSC-UHFFFAOYSA-N
XLogP3.71
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide
CID 58448041
5-[(2-ethyl-6-methylphenoxy)methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58448010
5-[[2-[3-(1-ethylcyclobutyl)propanoyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58448324
5-[[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-methylphenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58448405
2-chloro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]benzamide
CID 58448337
5-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58448301
5-[[2-[2-(2-methylpyrazol-3-yl)acetyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58448209
N-(2,5-dimethylpyrazol-3-yl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide
CID 46207684
5-[[3-chloro-2-[(2S)-2-propylpiperidine-1-carbonyl]phenoxy]methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58448401
5-[(4-tert-butyl-2-chlorophenoxy)methyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58448326
2-phenyl-5-(propan-2-yloxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 123839776
N-(1-ethynylcyclohexyl)-1-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]cyclohexane-1-carboxamide
CID 58448031

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide (CID 58448149) is 1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide is Cc1cccc(OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)c1NC(=O)C1(C)CC1.
What is the InChIKey of 1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide?
The InChIKey is ONEYDIULUCPOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15-7-6-10-18(20(15)26-22(31)24(2)11-12-24)32-14-17-13-19(30)29-23(25-17)27-21(28-29)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,26,31)(H,25,27,28).
What are the key properties of 1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide?
1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-6-[(7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 58448149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).