2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

C35H38ClN7O2 — CID 90644973

IUPAC2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CN(Cc3ccccn3)Cc3ccccn3)cccn12
InChIInChI=1S/C35H38ClN7O2/c1-3-19-42(20-4-2)33(45)22-31-34(26-13-15-27(36)16-14-26)40-35-30(12-9-21-43(31)35)39-32(44)25-41(23-28-10-5-7-17-37-28)24-29-11-6-8-18-38-29/h5-18,21H,3-4,19-20,22-25H2,1-2H3,(H,39,44)
InChIKeyWAKIVHHZNLSCKE-UHFFFAOYSA-N
MW624.19 g/mol
LogP6.28
Rot. Bonds14

About 2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (PubChem CID 90644973) has the molecular formula C35H38ClN7O2 and a molecular weight of 624.19 g/mol. Its IUPAC name is 2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
PubChem CID90644973
Molecular FormulaC35H38ClN7O2
Molecular Weight624.19 g/mol
Exact Mass623.28
IUPAC Name2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CN(Cc3ccccn3)Cc3ccccn3)cccn12
InChIInChI=1S/C35H38ClN7O2/c1-3-19-42(20-4-2)33(45)22-31-34(26-13-15-27(36)16-14-26)40-35-30(12-9-21-43(31)35)39-32(44)25-41(23-28-10-5-7-17-37-28)24-29-11-6-8-18-38-29/h5-18,21H,3-4,19-20,22-25H2,1-2H3,(H,39,44)
InChIKeyWAKIVHHZNLSCKE-UHFFFAOYSA-N
XLogP6.28
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.19
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate
CID 25140760
2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10764308
2-[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 56591516
2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 131993555
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
CID 101498940
N-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
CID 155804068
N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide
CID 42916702
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propylbenzamide
CID 1030181
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610

Frequently Asked Questions

What is the IUPAC name of 2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (CID 90644973) is 2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CN(Cc3ccccn3)Cc3ccccn3)cccn12.
What is the InChIKey of 2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The InChIKey is WAKIVHHZNLSCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38ClN7O2/c1-3-19-42(20-4-2)33(45)22-31-34(26-13-15-27(36)16-14-26)40-35-30(12-9-21-43(31)35)39-32(44)25-41(23-28-10-5-7-17-37-28)24-29-11-6-8-18-38-29/h5-18,21H,3-4,19-20,22-25H2,1-2H3,(H,39,44).
What are the key properties of 2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide has a molecular weight of 624.19 g/mol, XLogP of 6.28, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 90644973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).