ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine

C27H32N10 — CID 144831586

IUPACethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine
SMILESCC.Cn1cc(-c2cc3c(N4CCN(c5ncc(C(N)c6ccccc6)cn5)CC4)ncnn3c2)cn1
InChIInChI=1S/C25H26N10.C2H6/c1-32-15-21(14-30-32)19-11-22-24(29-17-31-35(22)16-19)33-7-9-34(10-8-33)25-27-12-20(13-28-25)23(26)18-5-3-2-4-6-18;1-2/h2-6,11-17,23H,7-10,26H2,1H3;1-2H3
InChIKeyXPNBYBNASDWEHE-UHFFFAOYSA-N
MW496.62 g/mol
LogP3.32
Rot. Bonds5

About ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine

ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine (PubChem CID 144831586) has the molecular formula C27H32N10 and a molecular weight of 496.62 g/mol. Its IUPAC name is ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine.

Molecular Properties

Compound Nameethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine
PubChem CID144831586
Molecular FormulaC27H32N10
Molecular Weight496.62 g/mol
Exact Mass496.28
IUPAC Nameethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine
SMILESCC.Cn1cc(-c2cc3c(N4CCN(c5ncc(C(N)c6ccccc6)cn5)CC4)ncnn3c2)cn1
InChIInChI=1S/C25H26N10.C2H6/c1-32-15-21(14-30-32)19-11-22-24(29-17-31-35(22)16-19)33-7-9-34(10-8-33)25-27-12-20(13-28-25)23(26)18-5-3-2-4-6-18;1-2/h2-6,11-17,23H,7-10,26H2,1H3;1-2H3
InChIKeyXPNBYBNASDWEHE-UHFFFAOYSA-N
XLogP3.32
TPSA106.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine 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

4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032839
(2S)-2-(4-fluorophenyl)-2-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032881
bis(5-[(1S)-1-(4-fluorophenyl)propyl]-2-piperidin-1-ylpyrimidine);bis(5-[(1R)-1-(4-fluorophenyl)propyl]-2-piperidin-1-ylpyrimidine);4-[4-[5-[(1R)-1-(4-fluorophenyl)propyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 160579331
ethane;6-(1-methylpyrazol-4-yl)-4-[4-[5-(2,4,6-trifluorophenyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 144831617
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
CID 167607209
4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032872
6-(1-methylpyrazol-4-yl)-4-[4-[5-[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 134592406
(1R)-1-(4-chlorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032916
(1S)-2,2,2-trideuterio-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
CID 155795195
4-[4-[5-[(4-fluoro-2-methylphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118033594
(1S)-1-(4-fluorophenyl)-N,N-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine
CID 169490957
2,2,2-trifluoro-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 134590972

Frequently Asked Questions

What is the IUPAC name of ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine?
The IUPAC name of ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine (CID 144831586) is ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine.
What is the SMILES notation for ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine?
The canonical SMILES for ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine is CC.Cn1cc(-c2cc3c(N4CCN(c5ncc(C(N)c6ccccc6)cn5)CC4)ncnn3c2)cn1.
What is the InChIKey of ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine?
The InChIKey is XPNBYBNASDWEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N10.C2H6/c1-32-15-21(14-30-32)19-11-22-24(29-17-31-35(22)16-19)33-7-9-34(10-8-33)25-27-12-20(13-28-25)23(26)18-5-3-2-4-6-18;1-2/h2-6,11-17,23H,7-10,26H2,1H3;1-2H3.
What are the key properties of ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine?
ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine has a molecular weight of 496.62 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine is sourced from PubChem (CID 144831586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).