N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide

C25H22FN5O2 — CID 126725609

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)C=C(c2cc3ccccc3[nH]2)C(O)N1
InChIInChI=1S/C25H22FN5O2/c1-15-20(11-21(25(33)28-15)23-10-17-6-2-3-8-22(17)30-23)24(32)29-19-12-27-31(14-19)13-16-5-4-7-18(26)9-16/h2-12,14,25,28,30,33H,13H2,1H3,(H,29,32)
InChIKeyLEOOOXNMDOOWPY-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.77
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide (PubChem CID 126725609) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide
PubChem CID126725609
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)C=C(c2cc3ccccc3[nH]2)C(O)N1
InChIInChI=1S/C25H22FN5O2/c1-15-20(11-21(25(33)28-15)23-10-17-6-2-3-8-22(17)30-23)24(32)29-19-12-27-31(14-19)13-16-5-4-7-18(26)9-16/h2-12,14,25,28,30,33H,13H2,1H3,(H,29,32)
InChIKeyLEOOOXNMDOOWPY-UHFFFAOYSA-N
XLogP3.77
TPSA94.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide (CID 126725609) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide is CC1=C(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)C=C(c2cc3ccccc3[nH]2)C(O)N1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide?
The InChIKey is LEOOOXNMDOOWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-15-20(11-21(25(33)28-15)23-10-17-6-2-3-8-22(17)30-23)24(32)29-19-12-27-31(14-19)13-16-5-4-7-18(26)9-16/h2-12,14,25,28,30,33H,13H2,1H3,(H,29,32).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-hydroxy-3-(1H-indol-2-yl)-6-methyl-1,2-dihydropyridine-5-carboxamide is sourced from PubChem (CID 126725609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).