N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C22H26ClN5O — CID 60573415

IUPACN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCC1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H26ClN5O/c1-15-19(16(2)28-21(27-15)25-14-26-28)9-10-20(29)24-13-22(11-3-4-12-22)17-5-7-18(23)8-6-17/h5-8,14H,3-4,9-13H2,1-2H3,(H,24,29)
InChIKeyRLNOUXISJLNZGP-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.96
Rot. Bonds6

About N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 60573415) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID60573415
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCC1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H26ClN5O/c1-15-19(16(2)28-21(27-15)25-14-26-28)9-10-20(29)24-13-22(11-3-4-12-22)17-5-7-18(23)8-6-17/h5-8,14H,3-4,9-13H2,1-2H3,(H,24,29)
InChIKeyRLNOUXISJLNZGP-UHFFFAOYSA-N
XLogP3.96
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 60573415) is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NCC1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is RLNOUXISJLNZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-15-19(16(2)28-21(27-15)25-14-26-28)9-10-20(29)24-13-22(11-3-4-12-22)17-5-7-18(23)8-6-17/h5-8,14H,3-4,9-13H2,1-2H3,(H,24,29).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 411.94 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 60573415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).