4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C31H25N9O4S2 — CID 123233191

IUPAC4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1-c1cncc(Oc2ccnc(C(=O)Nc3nc(C(C)C)cs3)c2)c1
InChIInChI=1S/C31H25N9O4S2/c1-17(2)26-15-45-30(38-26)39-28(41)24-9-20(4-6-35-24)43-22-8-19(11-32-12-22)27-18(3)37-31(46-27)40-29(42)25-10-21(5-7-36-25)44-23-13-33-16-34-14-23/h4-17H,1-3H3,(H,37,40,42)(H,38,39,41)
InChIKeyMVWVEHLCAKCFOL-UHFFFAOYSA-N
MW651.73 g/mol
LogP6.76
Rot. Bonds10

About 4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide

4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 123233191) has the molecular formula C31H25N9O4S2 and a molecular weight of 651.73 g/mol. Its IUPAC name is 4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID123233191
Molecular FormulaC31H25N9O4S2
Molecular Weight651.73 g/mol
Exact Mass651.15
IUPAC Name4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1-c1cncc(Oc2ccnc(C(=O)Nc3nc(C(C)C)cs3)c2)c1
InChIInChI=1S/C31H25N9O4S2/c1-17(2)26-15-45-30(38-26)39-28(41)24-9-20(4-6-35-24)43-22-8-19(11-32-12-22)27-18(3)37-31(46-27)40-29(42)25-10-21(5-7-36-25)44-23-13-33-16-34-14-23/h4-17H,1-3H3,(H,37,40,42)(H,38,39,41)
InChIKeyMVWVEHLCAKCFOL-UHFFFAOYSA-N
XLogP6.76
TPSA166.89 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500651.73
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 63048047
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768
N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide
CID 86762172
5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62957931
5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 30715660
2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 103821297
3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 63213843
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60721950
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide
CID 97317188

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 123233191) is 4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1-c1cncc(Oc2ccnc(C(=O)Nc3nc(C(C)C)cs3)c2)c1.
What is the InChIKey of 4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is MVWVEHLCAKCFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N9O4S2/c1-17(2)26-15-45-30(38-26)39-28(41)24-9-20(4-6-35-24)43-22-8-19(11-32-12-22)27-18(3)37-31(46-27)40-29(42)25-10-21(5-7-36-25)44-23-13-33-16-34-14-23/h4-17H,1-3H3,(H,37,40,42)(H,38,39,41).
What are the key properties of 4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 651.73 g/mol, XLogP of 6.76, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 123233191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).