1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide

C26H29FN4O2 — CID 165083045

IUPAC1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide
SMILESCCCN(CCO)C(=O)c1cccc2c1CCN2c1cc(Cc2cc(C)cc(F)c2)ncn1
InChIInChI=1S/C26H29FN4O2/c1-3-8-30(10-11-32)26(33)23-5-4-6-24-22(23)7-9-31(24)25-16-21(28-17-29-25)15-19-12-18(2)13-20(27)14-19/h4-6,12-14,16-17,32H,3,7-11,15H2,1-2H3
InChIKeyFSXOZGXARRPDHZ-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.05
Rot. Bonds8

About 1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide

1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide (PubChem CID 165083045) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide
PubChem CID165083045
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide
SMILESCCCN(CCO)C(=O)c1cccc2c1CCN2c1cc(Cc2cc(C)cc(F)c2)ncn1
InChIInChI=1S/C26H29FN4O2/c1-3-8-30(10-11-32)26(33)23-5-4-6-24-22(23)7-9-31(24)25-16-21(28-17-29-25)15-19-12-18(2)13-20(27)14-19/h4-6,12-14,16-17,32H,3,7-11,15H2,1-2H3
InChIKeyFSXOZGXARRPDHZ-UHFFFAOYSA-N
XLogP4.05
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one
CID 165090453
N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162659193
N-propyl-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181565
1-[1-[6-(3-methylphenyl)sulfanylpyrimidin-4-yl]-2,3-dihydroindol-4-yl]pentan-1-one
CID 164964615
1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181575
1-[1-[2-(3-fluoro-5-methylphenyl)ethyl]-2,3-dihydroindol-4-yl]-4-hydroxybutan-1-one
CID 164991560
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 114034963
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
CID 122653603
[1-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindol-4-yl]-(methylamino)methanol
CID 129214783
N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653710
5-(2,3-dihydroindol-1-yl)-N,N-dipropylpyrazine-2-carboxamide
CID 109288910
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide
CID 110887162

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide (CID 165083045) is 1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide is CCCN(CCO)C(=O)c1cccc2c1CCN2c1cc(Cc2cc(C)cc(F)c2)ncn1.
What is the InChIKey of 1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide?
The InChIKey is FSXOZGXARRPDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-3-8-30(10-11-32)26(33)23-5-4-6-24-22(23)7-9-31(24)25-16-21(28-17-29-25)15-19-12-18(2)13-20(27)14-19/h4-6,12-14,16-17,32H,3,7-11,15H2,1-2H3.
What are the key properties of 1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide?
1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 165083045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).