2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide

C20H16F3N7O3S — CID 58710407

IUPAC2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Nc2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H16F3N7O3S/c1-9(28-18(33)15-12-2-3-14(31)30-16(12)27-8-26-15)19-25-7-13(34-19)17(32)29-11-4-10(5-24-6-11)20(21,22)23/h4-9H,2-3H2,1H3,(H,28,33)(H,29,32)(H,26,27,30,31)/t9-/m1/s1
InChIKeyIQWNIJFVCYNCDB-SECBINFHSA-N
MW491.46 g/mol
LogP2.97
Rot. Bonds5

About 2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide

2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 58710407) has the molecular formula C20H16F3N7O3S and a molecular weight of 491.46 g/mol. Its IUPAC name is 2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID58710407
Molecular FormulaC20H16F3N7O3S
Molecular Weight491.46 g/mol
Exact Mass491.10
IUPAC Name2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Nc2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H16F3N7O3S/c1-9(28-18(33)15-12-2-3-14(31)30-16(12)27-8-26-15)19-25-7-13(34-19)17(32)29-11-4-10(5-24-6-11)20(21,22)23/h4-9H,2-3H2,1H3,(H,28,33)(H,29,32)(H,26,27,30,31)/t9-/m1/s1
InChIKeyIQWNIJFVCYNCDB-SECBINFHSA-N
XLogP2.97
TPSA138.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 58710407) is 2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide is C[C@@H](NC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Nc2cncc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IQWNIJFVCYNCDB-SECBINFHSA-N. The full InChI is InChI=1S/C20H16F3N7O3S/c1-9(28-18(33)15-12-2-3-14(31)30-16(12)27-8-26-15)19-25-7-13(34-19)17(32)29-11-4-10(5-24-6-11)20(21,22)23/h4-9H,2-3H2,1H3,(H,28,33)(H,29,32)(H,26,27,30,31)/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 491.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58710407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).