5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide

C26H21ClFN7O4 — CID 121245983

IUPAC5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide
SMILESCOc1cn(C(Cc2ccn(C)n2)C(=O)Nc2cnc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C26H21ClFN7O4/c1-34-6-5-16(33-34)9-21(26(38)32-17-8-20(28)24(25(30)37)31-12-17)35-13-22(39-2)19(10-23(35)36)18-7-15(27)4-3-14(18)11-29/h3-8,10,12-13,21H,9H2,1-2H3,(H2,30,37)(H,32,38)
InChIKeyDDOPLTPHURYTSG-UHFFFAOYSA-N
MW549.95 g/mol
LogP2.84
Rot. Bonds8

About 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide (PubChem CID 121245983) has the molecular formula C26H21ClFN7O4 and a molecular weight of 549.95 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide
PubChem CID121245983
Molecular FormulaC26H21ClFN7O4
Molecular Weight549.95 g/mol
Exact Mass549.13
IUPAC Name5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide
SMILESCOc1cn(C(Cc2ccn(C)n2)C(=O)Nc2cnc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C26H21ClFN7O4/c1-34-6-5-16(33-34)9-21(26(38)32-17-8-20(28)24(25(30)37)31-12-17)35-13-22(39-2)19(10-23(35)36)18-7-15(27)4-3-14(18)11-29/h3-8,10,12-13,21H,9H2,1-2H3,(H2,30,37)(H,32,38)
InChIKeyDDOPLTPHURYTSG-UHFFFAOYSA-N
XLogP2.84
TPSA157.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.95
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide (CID 121245983) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide is COc1cn(C(Cc2ccn(C)n2)C(=O)Nc2cnc(C(N)=O)c(F)c2)c(=O)cc1-c1cc(Cl)ccc1C#N.
What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide?
The InChIKey is DDOPLTPHURYTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN7O4/c1-34-6-5-16(33-34)9-21(26(38)32-17-8-20(28)24(25(30)37)31-12-17)35-13-22(39-2)19(10-23(35)36)18-7-15(27)4-3-14(18)11-29/h3-8,10,12-13,21H,9H2,1-2H3,(H2,30,37)(H,32,38).
What are the key properties of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide?
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide has a molecular weight of 549.95 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoyl]amino]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 121245983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).