1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

C22H21FN4O2 — CID 162659079

IUPAC1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(F)c2)ncn1
InChIInChI=1S/C22H21FN4O2/c23-16-4-1-3-15(11-16)12-17-13-21(26-14-25-17)27-9-7-18-19(5-2-6-20(18)27)22(29)24-8-10-28/h1-6,11,13-14,28H,7-10,12H2,(H,24,29)
InChIKeyVPQABBXVYSTBHJ-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.62
Rot. Bonds6

About 1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 162659079) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID162659079
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(F)c2)ncn1
InChIInChI=1S/C22H21FN4O2/c23-16-4-1-3-15(11-16)12-17-13-21(26-14-25-17)27-9-7-18-19(5-2-6-20(18)27)22(29)24-8-10-28/h1-6,11,13-14,28H,7-10,12H2,(H,24,29)
InChIKeyVPQABBXVYSTBHJ-UHFFFAOYSA-N
XLogP2.62
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Benzylamino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyridine-3-carboxamide
CID 137348875
3-(2-fluoroanilino)-2-(5-methylpyridin-2-yl)-3H-isoindol-1-one
CID 5308743
4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5H-pyrimido[5,4-b]indole-9-carboxylic acid amide
CID 10320818
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-4-ylurea
CID 46908048
3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 46942855
3-[[4-(7-ethyl-8-oxo-9H-purin-6-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide
CID 57404049
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea
CID 67283615
N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]-2,3-dihydroindole-4-carboxamide
CID 122653730
2-[(6-Amino-7,8-dihydropurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 123381359
US10112955, Example 12
CID 129071545
4-methyl-3-[[1-[6-(methylamino)pyrimidin-4-yl]cyclopropanecarbonyl]amino]-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide
CID 137652367
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]acetamide
CID 147826952

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (CID 162659079) is 1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(F)c2)ncn1.
What is the InChIKey of 1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is VPQABBXVYSTBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-16-4-1-3-15(11-16)12-17-13-21(26-14-25-17)27-9-7-18-19(5-2-6-20(18)27)22(29)24-8-10-28/h1-6,11,13-14,28H,7-10,12H2,(H,24,29).
What are the key properties of 1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162659079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).