N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

C23H24N6O2S — CID 97249352

IUPACN-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCn1cc(C[C@@H](CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C(N)=O)cn1
InChIInChI=1S/C23H24N6O2S/c1-28-13-16(11-26-28)10-18(22(24)30)12-25-23(31)17-5-7-20(8-6-17)32-15-19-14-29-9-3-2-4-21(29)27-19/h2-9,11,13-14,18H,10,12,15H2,1H3,(H2,24,30)(H,25,31)/t18-/m0/s1
InChIKeyCQWDADVBPFWRMN-SFHVURJKSA-N
MW448.55 g/mol
LogP2.43
Rot. Bonds9

About N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (PubChem CID 97249352) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
PubChem CID97249352
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC NameN-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESCn1cc(C[C@@H](CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C(N)=O)cn1
InChIInChI=1S/C23H24N6O2S/c1-28-13-16(11-26-28)10-18(22(24)30)12-25-23(31)17-5-7-20(8-6-17)32-15-19-14-29-9-3-2-4-21(29)27-19/h2-9,11,13-14,18H,10,12,15H2,1H3,(H2,24,30)(H,25,31)/t18-/m0/s1
InChIKeyCQWDADVBPFWRMN-SFHVURJKSA-N
XLogP2.43
TPSA107.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 55523045
N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134046116
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119642980
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)benzamide
CID 35823533
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
CID 35696945
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
N-[(4-cyanophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134035536
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 31842029
N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119616671

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (CID 97249352) is N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is Cn1cc(C[C@@H](CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C(N)=O)cn1.
What is the InChIKey of N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The InChIKey is CQWDADVBPFWRMN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-28-13-16(11-26-28)10-18(22(24)30)12-25-23(31)17-5-7-20(8-6-17)32-15-19-14-29-9-3-2-4-21(29)27-19/h2-9,11,13-14,18H,10,12,15H2,1H3,(H2,24,30)(H,25,31)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide has a molecular weight of 448.55 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-2-[(1-methylpyrazol-4-yl)methyl]-3-oxopropyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 97249352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).