N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide

C29H26F2N6O3 — CID 66852731

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)c(F)c2)c1)c1c[nH]c(=O)c(-c2cc3cc(CN4CCOCC4)ccc3[nH]2)c1
InChIInChI=1S/C29H26F2N6O3/c30-24-3-1-19(10-25(24)31)16-37-17-22(14-33-37)34-28(38)21-11-23(29(39)32-13-21)27-12-20-9-18(2-4-26(20)35-27)15-36-5-7-40-8-6-36/h1-4,9-14,17,35H,5-8,15-16H2,(H,32,39)(H,34,38)
InChIKeyXFUFRFBYSUAHOU-UHFFFAOYSA-N
MW544.56 g/mol
LogP4.13
Rot. Bonds7

About N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 66852731) has the molecular formula C29H26F2N6O3 and a molecular weight of 544.56 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID66852731
Molecular FormulaC29H26F2N6O3
Molecular Weight544.56 g/mol
Exact Mass544.20
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)c(F)c2)c1)c1c[nH]c(=O)c(-c2cc3cc(CN4CCOCC4)ccc3[nH]2)c1
InChIInChI=1S/C29H26F2N6O3/c30-24-3-1-19(10-25(24)31)16-37-17-22(14-33-37)34-28(38)21-11-23(29(39)32-13-21)27-12-20-9-18(2-4-26(20)35-27)15-36-5-7-40-8-6-36/h1-4,9-14,17,35H,5-8,15-16H2,(H,32,39)(H,34,38)
InChIKeyXFUFRFBYSUAHOU-UHFFFAOYSA-N
XLogP4.13
TPSA108.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.56
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 66852731) is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cnn(Cc2ccc(F)c(F)c2)c1)c1c[nH]c(=O)c(-c2cc3cc(CN4CCOCC4)ccc3[nH]2)c1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XFUFRFBYSUAHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N6O3/c30-24-3-1-19(10-25(24)31)16-37-17-22(14-33-37)34-28(38)21-11-23(29(39)32-13-21)27-12-20-9-18(2-4-26(20)35-27)15-36-5-7-40-8-6-36/h1-4,9-14,17,35H,5-8,15-16H2,(H,32,39)(H,34,38).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 544.56 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66852731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).