N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

C23H21F3N10O3S — CID 129091180

IUPACN-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cc(NCCNc2cnccn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1
InChIInChI=1S/C23H21F3N10O3S/c1-12(22-32-9-16(40-22)21(39)36-18-6-13(23(24,25)26)15(37)8-31-18)35-20(38)14-7-17(34-11-33-14)28-4-5-30-19-10-27-2-3-29-19/h2-3,6-12,37H,4-5H2,1H3,(H,29,30)(H,35,38)(H,28,33,34)(H,31,36,39)
InChIKeyCJSJNMUGUGSPHZ-UHFFFAOYSA-N
MW574.55 g/mol
LogP3.11
Rot. Bonds10

About N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 129091180) has the molecular formula C23H21F3N10O3S and a molecular weight of 574.55 g/mol. Its IUPAC name is N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID129091180
Molecular FormulaC23H21F3N10O3S
Molecular Weight574.55 g/mol
Exact Mass574.15
IUPAC NameN-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cc(NCCNc2cnccn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1
InChIInChI=1S/C23H21F3N10O3S/c1-12(22-32-9-16(40-22)21(39)36-18-6-13(23(24,25)26)15(37)8-31-18)35-20(38)14-7-17(34-11-33-14)28-4-5-30-19-10-27-2-3-29-19/h2-3,6-12,37H,4-5H2,1H3,(H,29,30)(H,35,38)(H,28,33,34)(H,31,36,39)
InChIKeyCJSJNMUGUGSPHZ-UHFFFAOYSA-N
XLogP3.11
TPSA179.83 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.55
LogP ≤ 53.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 129091180) is N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cc(NCCNc2cnccn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1.
What is the InChIKey of N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CJSJNMUGUGSPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N10O3S/c1-12(22-32-9-16(40-22)21(39)36-18-6-13(23(24,25)26)15(37)8-31-18)35-20(38)14-7-17(34-11-33-14)28-4-5-30-19-10-27-2-3-29-19/h2-3,6-12,37H,4-5H2,1H3,(H,29,30)(H,35,38)(H,28,33,34)(H,31,36,39).
What are the key properties of N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 574.55 g/mol, XLogP of 3.11, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 129091180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).