(2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide

C19H21N7O3S — CID 144748625

IUPAC(2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)[C@@H](C)n3cnc4c3C(=O)N(C)C(O)N4C)nc2)cs1
InChIInChI=1S/C19H21N7O3S/c1-10(26-9-21-16-15(26)18(28)25(4)19(29)24(16)3)17(27)23-14-6-5-12(7-20-14)13-8-30-11(2)22-13/h5-10,19,29H,1-4H3,(H,20,23,27)/t10-,19?/m1/s1
InChIKeyMVCPGGLWLSVIGS-VTZGEWFSSA-N
MW427.49 g/mol
LogP1.71
Rot. Bonds4

About (2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide

(2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide (PubChem CID 144748625) has the molecular formula C19H21N7O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is (2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide
PubChem CID144748625
Molecular FormulaC19H21N7O3S
Molecular Weight427.49 g/mol
Exact Mass427.14
IUPAC Name(2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)[C@@H](C)n3cnc4c3C(=O)N(C)C(O)N4C)nc2)cs1
InChIInChI=1S/C19H21N7O3S/c1-10(26-9-21-16-15(26)18(28)25(4)19(29)24(16)3)17(27)23-14-6-5-12(7-20-14)13-8-30-11(2)22-13/h5-10,19,29H,1-4H3,(H,20,23,27)/t10-,19?/m1/s1
InChIKeyMVCPGGLWLSVIGS-VTZGEWFSSA-N
XLogP1.71
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[2-hydroxy-3-methyl-6-oxo-1-(2-oxopropyl)-2H-purin-7-yl]propanamide
CID 146289419
(2S)-2-[2-hydroxy-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide
CID 130467859
(2S)-2-[2-hydroxy-3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxo-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide
CID 130467862
(2S)-2-[3-methyl-6-oxo-1-(2-oxopropyl)-2H-purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide
CID 146289416
2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide
CID 154934651
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide
CID 118184676
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
N-(4-methylphenyl)-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 4081823
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide
CID 134048772
4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 67987743
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
2-(4-oxoquinazolin-3-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 75356853

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide?
The IUPAC name of (2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide (CID 144748625) is (2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for (2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide?
The canonical SMILES for (2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide is Cc1nc(-c2ccc(NC(=O)[C@@H](C)n3cnc4c3C(=O)N(C)C(O)N4C)nc2)cs1.
What is the InChIKey of (2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide?
The InChIKey is MVCPGGLWLSVIGS-VTZGEWFSSA-N. The full InChI is InChI=1S/C19H21N7O3S/c1-10(26-9-21-16-15(26)18(28)25(4)19(29)24(16)3)17(27)23-14-6-5-12(7-20-14)13-8-30-11(2)22-13/h5-10,19,29H,1-4H3,(H,20,23,27)/t10-,19?/m1/s1.
What are the key properties of (2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide?
(2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide has a molecular weight of 427.49 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 144748625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).