7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid

C24H22N6O2 — CID 19044767

IUPAC7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCCCCc1nc2cccnc2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2n1
InChIInChI=1S/C24H22N6O2/c1-2-3-11-19-27-18-10-7-13-25-22(18)30(19)15-17-12-14-29-21(23(31)32)20(28-24(29)26-17)16-8-5-4-6-9-16/h4-10,12-14H,2-3,11,15H2,1H3,(H,31,32)
InChIKeyKWEPMUXSOLDTON-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.23
Rot. Bonds7

About 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid

7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 19044767) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID19044767
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESCCCCc1nc2cccnc2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2n1
InChIInChI=1S/C24H22N6O2/c1-2-3-11-19-27-18-10-7-13-25-22(18)30(19)15-17-12-14-29-21(23(31)32)20(28-24(29)26-17)16-8-5-4-6-9-16/h4-10,12-14H,2-3,11,15H2,1H3,(H,31,32)
InChIKeyKWEPMUXSOLDTON-UHFFFAOYSA-N
XLogP4.23
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
CID 67843183
2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79289197
methyl 2-bromo-4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate
CID 70208197
1-[4-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-chloropyrrole-2-carbonitrile
CID 19759228
2-butyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 67943952
6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-(3-carboxy-2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid
CID 18663762
2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 19752341
2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 14989466
2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid
CID 134154466
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
CID 53020555
3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine
CID 139644506

Frequently Asked Questions

What is the IUPAC name of 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid (CID 19044767) is 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid is CCCCc1nc2cccnc2n1Cc1ccn2c(C(=O)O)c(-c3ccccc3)nc2n1.
What is the InChIKey of 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is KWEPMUXSOLDTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-2-3-11-19-27-18-10-7-13-25-22(18)30(19)15-17-12-14-29-21(23(31)32)20(28-24(29)26-17)16-8-5-4-6-9-16/h4-10,12-14H,2-3,11,15H2,1H3,(H,31,32).
What are the key properties of 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid?
7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 426.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 19044767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).