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

C22H20F2N4O2 — CID 162655320

IUPAC1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ncn1
InChIInChI=1S/C22H20F2N4O2/c23-15-8-14(9-16(24)11-15)10-17-12-21(27-13-26-17)28-6-4-18-19(2-1-3-20(18)28)22(30)25-5-7-29/h1-3,8-9,11-13,29H,4-7,10H2,(H,25,30)
InChIKeyPLZXVXXMJIKMNI-UHFFFAOYSA-N
MW410.42 g/mol
LogP2.76
Rot. Bonds6

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

1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 162655320) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID162655320
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ncn1
InChIInChI=1S/C22H20F2N4O2/c23-15-8-14(9-16(24)11-15)10-17-12-21(27-13-26-17)28-6-4-18-19(2-1-3-20(18)28)22(30)25-5-7-29/h1-3,8-9,11-13,29H,4-7,10H2,(H,25,30)
InChIKeyPLZXVXXMJIKMNI-UHFFFAOYSA-N
XLogP2.76
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide with MolForge

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Related Compounds

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4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5H-pyrimido[5,4-b]indole-9-carboxylic acid amide
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1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea
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CID 118341351
N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]-2,3-dihydroindole-4-carboxamide
CID 122653730
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
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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-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (CID 162655320) is 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ncn1.
What is the InChIKey of 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is PLZXVXXMJIKMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c23-15-8-14(9-16(24)11-15)10-17-12-21(27-13-26-17)28-6-4-18-19(2-1-3-20(18)28)22(30)25-5-7-29/h1-3,8-9,11-13,29H,4-7,10H2,(H,25,30).
What are the key properties of 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 410.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162655320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).