4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide

C24H22ClFN6O2 — CID 69083928

IUPAC4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide
SMILESO=C(NCC(c1cncc(F)c1)N1CCOCC1)c1cn(-c2ncccn2)c2cccc(Cl)c12
InChIInChI=1S/C24H22ClFN6O2/c25-19-3-1-4-20-22(19)18(15-32(20)24-28-5-2-6-29-24)23(33)30-14-21(31-7-9-34-10-8-31)16-11-17(26)13-27-12-16/h1-6,11-13,15,21H,7-10,14H2,(H,30,33)
InChIKeyJUBNSABNPKDOMW-UHFFFAOYSA-N
MW480.93 g/mol
LogP3.41
Rot. Bonds6

About 4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide

4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide (PubChem CID 69083928) has the molecular formula C24H22ClFN6O2 and a molecular weight of 480.93 g/mol. Its IUPAC name is 4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide
PubChem CID69083928
Molecular FormulaC24H22ClFN6O2
Molecular Weight480.93 g/mol
Exact Mass480.15
IUPAC Name4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide
SMILESO=C(NCC(c1cncc(F)c1)N1CCOCC1)c1cn(-c2ncccn2)c2cccc(Cl)c12
InChIInChI=1S/C24H22ClFN6O2/c25-19-3-1-4-20-22(19)18(15-32(20)24-28-5-2-6-29-24)23(33)30-14-21(31-7-9-34-10-8-31)16-11-17(26)13-27-12-16/h1-6,11-13,15,21H,7-10,14H2,(H,30,33)
InChIKeyJUBNSABNPKDOMW-UHFFFAOYSA-N
XLogP3.41
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide with MolForge

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Related Compounds

1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
CID 69084825
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 69012733
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide
CID 88848682
1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
CID 70972802
4-chloro-N-[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69082923
2-chloro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]pyridine-3-carboxamide
CID 2313697
N-[2-(6-methoxy-3-pyridinyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 25190407
2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
CID 91197833
2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506509
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
CID 29223882
4-chloro-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69012384

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide (CID 69083928) is 4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide is O=C(NCC(c1cncc(F)c1)N1CCOCC1)c1cn(-c2ncccn2)c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide?
The InChIKey is JUBNSABNPKDOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O2/c25-19-3-1-4-20-22(19)18(15-32(20)24-28-5-2-6-29-24)23(33)30-14-21(31-7-9-34-10-8-31)16-11-17(26)13-27-12-16/h1-6,11-13,15,21H,7-10,14H2,(H,30,33).
What are the key properties of 4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide?
4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide has a molecular weight of 480.93 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide is sourced from PubChem (CID 69083928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).