4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine

C24H26FN7 — CID 139408271

IUPAC4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(CN)c5ccccc54)n3)c2)CC1
InChIInChI=1S/C24H26FN7/c1-30-9-11-31(12-10-30)19-6-4-5-18(13-19)28-24-27-15-21(25)23(29-24)32-16-17(14-26)20-7-2-3-8-22(20)32/h2-8,13,15-16H,9-12,14,26H2,1H3,(H,27,28,29)
InChIKeyBZZSNTYIUIGFNN-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.51
Rot. Bonds5

About 4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine

4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine (PubChem CID 139408271) has the molecular formula C24H26FN7 and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
PubChem CID139408271
Molecular FormulaC24H26FN7
Molecular Weight431.52 g/mol
Exact Mass431.22
IUPAC Name4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(CN)c5ccccc54)n3)c2)CC1
InChIInChI=1S/C24H26FN7/c1-30-9-11-31(12-10-30)19-6-4-5-18(13-19)28-24-27-15-21(25)23(29-24)32-16-17(14-26)20-7-2-3-8-22(20)32/h2-8,13,15-16H,9-12,14,26H2,1H3,(H,27,28,29)
InChIKeyBZZSNTYIUIGFNN-UHFFFAOYSA-N
XLogP3.51
TPSA75.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
CID 139408357
1-[5-fluoro-2-(3-piperazin-1-ylanilino)pyrimidin-4-yl]indole-3-carbaldehyde
CID 139408396
1-[5-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408219
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
[4-[3-[(5-fluoro-4-indol-1-ylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 139391247
2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 69059062
3-[[5-fluoro-2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 59381734
4-(cyclopropylmethyl)-6-[[5-fluoro-2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]pyrido[3,2-b][1,4]oxazin-3-one
CID 59405670
N-[3-(4-methylpiperazin-1-yl)phenyl]-8-prop-1-en-2-ylquinazolin-2-amine
CID 145226199
3-N-[3-(4-methylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 22344680
6-[[5-fluoro-2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 46239757

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine (CID 139408271) is 4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine is CN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(CN)c5ccccc54)n3)c2)CC1.
What is the InChIKey of 4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The InChIKey is BZZSNTYIUIGFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7/c1-30-9-11-31(12-10-30)19-6-4-5-18(13-19)28-24-27-15-21(25)23(29-24)32-16-17(14-26)20-7-2-3-8-22(20)32/h2-8,13,15-16H,9-12,14,26H2,1H3,(H,27,28,29).
What are the key properties of 4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine has a molecular weight of 431.52 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)indol-1-yl]-5-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 139408271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).