(4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

C30H34FN5O2 — CID 70953164

IUPAC(4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCn1ccc([C@H]2CCNCC2C(=O)N(CC2CN(Cc3ccncc3)c3cccc(F)c32)C2CC2)cc1=O
InChIInChI=1S/C30H34FN5O2/c1-34-14-10-21(15-28(34)37)24-9-13-33-16-25(24)30(38)36(23-5-6-23)19-22-18-35(17-20-7-11-32-12-8-20)27-4-2-3-26(31)29(22)27/h2-4,7-8,10-12,14-15,22-25,33H,5-6,9,13,16-19H2,1H3/t22?,24-,25?/m1/s1
InChIKeySREWDHWLBNTKHG-KWKWTDQQSA-N
MW515.63 g/mol
LogP3.41
Rot. Bonds7

About (4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

(4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 70953164) has the molecular formula C30H34FN5O2 and a molecular weight of 515.63 g/mol. Its IUPAC name is (4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
PubChem CID70953164
Molecular FormulaC30H34FN5O2
Molecular Weight515.63 g/mol
Exact Mass515.27
IUPAC Name(4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCn1ccc([C@H]2CCNCC2C(=O)N(CC2CN(Cc3ccncc3)c3cccc(F)c32)C2CC2)cc1=O
InChIInChI=1S/C30H34FN5O2/c1-34-14-10-21(15-28(34)37)24-9-13-33-16-25(24)30(38)36(23-5-6-23)19-22-18-35(17-20-7-11-32-12-8-20)27-4-2-3-26(31)29(22)27/h2-4,7-8,10-12,14-15,22-25,33H,5-6,9,13,16-19H2,1H3/t22?,24-,25?/m1/s1
InChIKeySREWDHWLBNTKHG-KWKWTDQQSA-N
XLogP3.41
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.63
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (CID 70953164) is (4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is Cn1ccc([C@H]2CCNCC2C(=O)N(CC2CN(Cc3ccncc3)c3cccc(F)c32)C2CC2)cc1=O.
What is the InChIKey of (4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is SREWDHWLBNTKHG-KWKWTDQQSA-N. The full InChI is InChI=1S/C30H34FN5O2/c1-34-14-10-21(15-28(34)37)24-9-13-33-16-25(24)30(38)36(23-5-6-23)19-22-18-35(17-20-7-11-32-12-8-20)27-4-2-3-26(31)29(22)27/h2-4,7-8,10-12,14-15,22-25,33H,5-6,9,13,16-19H2,1H3/t22?,24-,25?/m1/s1.
What are the key properties of (4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
(4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 515.63 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)-2,3-dihydroindol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 70953164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).