1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide

C23H21FN6O2 — CID 139408357

IUPAC1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
SMILESNC(=O)c1cn(-c2nc(Nc3cccc(N4CCOCC4)c3)ncc2F)c2ccccc12
InChIInChI=1S/C23H21FN6O2/c24-19-13-26-23(27-15-4-3-5-16(12-15)29-8-10-32-11-9-29)28-22(19)30-14-18(21(25)31)17-6-1-2-7-20(17)30/h1-7,12-14H,8-11H2,(H2,25,31)(H,26,27,28)
InChIKeyKUBRGCKOEGINBX-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.24
Rot. Bonds5

About 1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide

1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide (PubChem CID 139408357) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
PubChem CID139408357
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
SMILESNC(=O)c1cn(-c2nc(Nc3cccc(N4CCOCC4)c3)ncc2F)c2ccccc12
InChIInChI=1S/C23H21FN6O2/c24-19-13-26-23(27-15-4-3-5-16(12-15)29-8-10-32-11-9-29)28-22(19)30-14-18(21(25)31)17-6-1-2-7-20(17)30/h1-7,12-14H,8-11H2,(H2,25,31)(H,26,27,28)
InChIKeyKUBRGCKOEGINBX-UHFFFAOYSA-N
XLogP3.24
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-fluoro-2-[3-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408201
1-[5-fluoro-2-[3-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxylic acid
CID 151466671
1-[5-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408219
4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 139408271
1-[5-fluoro-2-(3-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carbaldehyde
CID 139408396
1-[2-[3-[4-(2-methoxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408520
1-[2-[3-fluoro-5-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408270
1-[5-chloro-2-[(5-piperidin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]indole-3-carboxamide
CID 161028650
[4-[3-[(5-fluoro-4-indol-1-ylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 139391247
2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid
CID 123941958
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
5,11-dimethyl-3-(3-morpholin-4-ylanilino)pyrimido[5,4-b][1,4]benzodiazepin-6-one
CID 86268637

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
The IUPAC name of 1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide (CID 139408357) is 1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide.
What is the SMILES notation for 1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
The canonical SMILES for 1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide is NC(=O)c1cn(-c2nc(Nc3cccc(N4CCOCC4)c3)ncc2F)c2ccccc12.
What is the InChIKey of 1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
The InChIKey is KUBRGCKOEGINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c24-19-13-26-23(27-15-4-3-5-16(12-15)29-8-10-32-11-9-29)28-22(19)30-14-18(21(25)31)17-6-1-2-7-20(17)30/h1-7,12-14H,8-11H2,(H2,25,31)(H,26,27,28).
What are the key properties of 1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide?
1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide is sourced from PubChem (CID 139408357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).