N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C25H23FN10 — CID 126484409

IUPACN-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cnccc1Nc1nc(-c2ccccn2)nn2ccc(CN3CCN(c4ncccn4)CC3)c12
InChIInChI=1S/C25H23FN10/c26-19-16-27-10-5-20(19)31-24-22-18(6-11-36(22)33-23(32-24)21-4-1-2-7-28-21)17-34-12-14-35(15-13-34)25-29-8-3-9-30-25/h1-11,16H,12-15,17H2,(H,27,31,32,33)
InChIKeyYLCZURHKIHJDDD-UHFFFAOYSA-N
MW482.53 g/mol
LogP3.18
Rot. Bonds6

About N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126484409) has the molecular formula C25H23FN10 and a molecular weight of 482.53 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126484409
Molecular FormulaC25H23FN10
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cnccc1Nc1nc(-c2ccccn2)nn2ccc(CN3CCN(c4ncccn4)CC3)c12
InChIInChI=1S/C25H23FN10/c26-19-16-27-10-5-20(19)31-24-22-18(6-11-36(22)33-23(32-24)21-4-1-2-7-28-21)17-34-12-14-35(15-13-34)25-29-8-3-9-30-25/h1-11,16H,12-15,17H2,(H,27,31,32,33)
InChIKeyYLCZURHKIHJDDD-UHFFFAOYSA-N
XLogP3.18
TPSA100.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]pyrrolidin-3-ol
CID 126484455
N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126484445
4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]butan-2-ol
CID 126484423
N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499741
3-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]adamantan-1-ol
CID 135271423
N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499823
2-butylpiperidine;ethane;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145236110
1-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]-2-methylpropan-2-ol
CID 126499713
5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 163501692
N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;morpholine;N-[4-[[5-(morpholin-4-ylmethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 161258486
ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
CID 145236065
tert-butyl 4-[2-[formyl-[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]amino]ethyl]piperazine-1-carboxylate
CID 135262359

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126484409) is N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1cnccc1Nc1nc(-c2ccccn2)nn2ccc(CN3CCN(c4ncccn4)CC3)c12.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is YLCZURHKIHJDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN10/c26-19-16-27-10-5-20(19)31-24-22-18(6-11-36(22)33-23(32-24)21-4-1-2-7-28-21)17-34-12-14-35(15-13-34)25-29-8-3-9-30-25/h1-11,16H,12-15,17H2,(H,27,31,32,33).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 482.53 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126484409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).