N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide

C22H23N5O2S — CID 9405963

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide
SMILESC[C@@H]1CCc2c(sc3nc(CCC(=O)NCc4cn5ccccc5n4)[nH]c(=O)c23)C1
InChIInChI=1S/C22H23N5O2S/c1-13-5-6-15-16(10-13)30-22-20(15)21(29)25-17(26-22)7-8-19(28)23-11-14-12-27-9-3-2-4-18(27)24-14/h2-4,9,12-13H,5-8,10-11H2,1H3,(H,23,28)(H,25,26,29)/t13-/m1/s1
InChIKeyUOPXTDBVIFEBID-CYBMUJFWSA-N
MW421.53 g/mol
LogP3.01
Rot. Bonds5

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide (PubChem CID 9405963) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide
PubChem CID9405963
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide
SMILESC[C@@H]1CCc2c(sc3nc(CCC(=O)NCc4cn5ccccc5n4)[nH]c(=O)c23)C1
InChIInChI=1S/C22H23N5O2S/c1-13-5-6-15-16(10-13)30-22-20(15)21(29)25-17(26-22)7-8-19(28)23-11-14-12-27-9-3-2-4-18(27)24-14/h2-4,9,12-13H,5-8,10-11H2,1H3,(H,23,28)(H,25,26,29)/t13-/m1/s1
InChIKeyUOPXTDBVIFEBID-CYBMUJFWSA-N
XLogP3.01
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide with MolForge

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Related Compounds

3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-N-[(2R)-2-phenylbutyl]propanamide
CID 135733151
N-[2-(ethylamino)ethyl]-3-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanamide
CID 119507317
N-(3-amino-2-methylpropyl)-3-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanamide
CID 119996519
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide
CID 92745986
3-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 9405577
3-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119512530
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 20930388
(7S)-2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 92745998
3-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-N-(2-phenylethyl)propanamide
CID 20930485
N-(1-hydroxypropan-2-yl)-3-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanamide
CID 78856485
3-(7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-N-piperidin-4-ylpropanamide
CID 119388367
3-[(7R)-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 92719503

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide (CID 9405963) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide is C[C@@H]1CCc2c(sc3nc(CCC(=O)NCc4cn5ccccc5n4)[nH]c(=O)c23)C1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide?
The InChIKey is UOPXTDBVIFEBID-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-13-5-6-15-16(10-13)30-22-20(15)21(29)25-17(26-22)7-8-19(28)23-11-14-12-27-9-3-2-4-18(27)24-14/h2-4,9,12-13H,5-8,10-11H2,1H3,(H,23,28)(H,25,26,29)/t13-/m1/s1.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide has a molecular weight of 421.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 9405963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).