7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde

C23H20N8O — CID 57046645

IUPAC7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2c(C=O)cnc2n1
InChIInChI=1S/C23H20N8O/c1-2-17-11-21(31-18(14-32)13-25-23(31)26-17)24-12-15-7-9-16(10-8-15)19-5-3-4-6-20(19)22-27-29-30-28-22/h3-11,13-14,24H,2,12H2,1H3,(H,27,28,29,30)
InChIKeyDTBZFLKDECWDQU-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.56
Rot. Bonds7

About 7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde

7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 57046645) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID57046645
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2c(C=O)cnc2n1
InChIInChI=1S/C23H20N8O/c1-2-17-11-21(31-18(14-32)13-25-23(31)26-17)24-12-15-7-9-16(10-8-15)19-5-3-4-6-20(19)22-27-29-30-28-22/h3-11,13-14,24H,2,12H2,1H3,(H,27,28,29,30)
InChIKeyDTBZFLKDECWDQU-UHFFFAOYSA-N
XLogP3.56
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide
CID 57119373
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
5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 57222528
potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
CID 173044434
5-ethyl-7-N-methyl-7-N-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
CID 23372849
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053
(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 10315945
2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-1,2,4-triazole-5-thione
CID 19882498
4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid
CID 18929695
[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

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 57046645) is 7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde is CCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n2c(C=O)cnc2n1.
What is the InChIKey of 7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is DTBZFLKDECWDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-2-17-11-21(31-18(14-32)13-25-23(31)26-17)24-12-15-7-9-16(10-8-15)19-5-3-4-6-20(19)22-27-29-30-28-22/h3-11,13-14,24H,2,12H2,1H3,(H,27,28,29,30).
What are the key properties of 7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde?
7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 424.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 57046645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).