2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide

C23H21N9O — CID 57119373

IUPAC2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2c(C(N)=O)ncc2n1
InChIInChI=1S/C23H21N9O/c1-2-16-11-19(32-20(27-16)13-26-23(32)21(24)33)25-12-14-7-9-15(10-8-14)17-5-3-4-6-18(17)22-28-30-31-29-22/h3-11,13,25H,2,12H2,1H3,(H2,24,33)(H,28,29,30,31)
InChIKeyZOAJSQNBFUVCDT-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.85
Rot. Bonds7

About 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide

2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 57119373) has the molecular formula C23H21N9O and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide
PubChem CID57119373
Molecular FormulaC23H21N9O
Molecular Weight439.48 g/mol
Exact Mass439.19
IUPAC Name2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2c(C(N)=O)ncc2n1
InChIInChI=1S/C23H21N9O/c1-2-16-11-19(32-20(27-16)13-26-23(32)21(24)33)25-12-14-7-9-15(10-8-14)17-5-3-4-6-18(17)22-28-30-31-29-22/h3-11,13,25H,2,12H2,1H3,(H2,24,33)(H,28,29,30,31)
InChIKeyZOAJSQNBFUVCDT-UHFFFAOYSA-N
XLogP2.85
TPSA139.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 57046645
N-[5-ethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 19976008
2,5-diethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 57138499
5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 57222528
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053
5,7-diethyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridine-3-carboxamide;hydrochloride
CID 19093788
5-ethyl-7-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 19975930
(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 10315945
2,5,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyridine-3-carboxylic acid;hydrochloride
CID 67909695
[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol
CID 15657933
2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
CID 54345927
tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate
CID 141085923

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide (CID 57119373) is 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide is CCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2c(C(N)=O)ncc2n1.
What is the InChIKey of 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZOAJSQNBFUVCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O/c1-2-16-11-19(32-20(27-16)13-26-23(32)21(24)33)25-12-14-7-9-15(10-8-14)17-5-3-4-6-18(17)22-28-30-31-29-22/h3-11,13,25H,2,12H2,1H3,(H2,24,33)(H,28,29,30,31).
What are the key properties of 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide?
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 57119373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).