N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide

C26H25F2N5O4 — CID 139301832

IUPACN-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
InChIInChI=1S/C26H25F2N5O4/c1-36-16-22-20(26(35)30-11-21-25(28)23(37-2)9-10-29-21)15-33(31-22)13-18-5-3-17(4-6-18)12-32-14-19(27)7-8-24(32)34/h3-10,14-15H,11-13,16H2,1-2H3,(H,30,35)
InChIKeyZRUFVDPYHLTYPD-UHFFFAOYSA-N
MW509.51 g/mol
LogP2.90
Rot. Bonds10

About N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide

N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide (PubChem CID 139301832) has the molecular formula C26H25F2N5O4 and a molecular weight of 509.51 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide
PubChem CID139301832
Molecular FormulaC26H25F2N5O4
Molecular Weight509.51 g/mol
Exact Mass509.19
IUPAC NameN-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
InChIInChI=1S/C26H25F2N5O4/c1-36-16-22-20(26(35)30-11-21-25(28)23(37-2)9-10-29-21)15-33(31-22)13-18-5-3-17(4-6-18)12-32-14-19(27)7-8-24(32)34/h3-10,14-15H,11-13,16H2,1-2H3,(H,30,35)
InChIKeyZRUFVDPYHLTYPD-UHFFFAOYSA-N
XLogP2.90
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide (CID 139301832) is N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F.
What is the InChIKey of N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
The InChIKey is ZRUFVDPYHLTYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O4/c1-36-16-22-20(26(35)30-11-21-25(28)23(37-2)9-10-29-21)15-33(31-22)13-18-5-3-17(4-6-18)12-32-14-19(27)7-8-24(32)34/h3-10,14-15H,11-13,16H2,1-2H3,(H,30,35).
What are the key properties of N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide?
N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide has a molecular weight of 509.51 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 139301832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).