2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide

C26H29N7O3 — CID 56945731

IUPAC2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
SMILESCOc1cc(C2CCN(CC(N)=O)CC2)ccc1Nc1ncc2ccc(-c3ncccc3OC)n2n1
InChIInChI=1S/C26H29N7O3/c1-35-22-4-3-11-28-25(22)21-8-6-19-15-29-26(31-33(19)21)30-20-7-5-18(14-23(20)36-2)17-9-12-32(13-10-17)16-24(27)34/h3-8,11,14-15,17H,9-10,12-13,16H2,1-2H3,(H2,27,34)(H,30,31)
InChIKeyNFVSDGCDOWJLIG-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.22
Rot. Bonds8

About 2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide

2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide (PubChem CID 56945731) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
PubChem CID56945731
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
SMILESCOc1cc(C2CCN(CC(N)=O)CC2)ccc1Nc1ncc2ccc(-c3ncccc3OC)n2n1
InChIInChI=1S/C26H29N7O3/c1-35-22-4-3-11-28-25(22)21-8-6-19-15-29-26(31-33(19)21)30-20-7-5-18(14-23(20)36-2)17-9-12-32(13-10-17)16-24(27)34/h3-8,11,14-15,17H,9-10,12-13,16H2,1-2H3,(H2,27,34)(H,30,31)
InChIKeyNFVSDGCDOWJLIG-UHFFFAOYSA-N
XLogP3.22
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide 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

N-[4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyphenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 87120017
2-[4-[4-[[7-(2,6-dimethoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 66710887
N-[2-[2-[4-[1-(2-hydroxypropyl)piperidin-4-yl]-2-methoxyanilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide
CID 66711604
N-tert-butyl-3-[2-[4-[1-[(2S)-2,3-dihydroxypropyl]piperidin-4-yl]-2-methoxyanilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 66711712
2-[4-[3-methoxy-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]-1-(2-methoxy-N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-piperidin-4-ylanilino)ethanol
CID 118915275
2-[3,3-difluoro-4-[3-methoxy-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanol
CID 86581580
N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]ethanesulfonamide
CID 67438066
2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 66712389
2-[4-[4-[[7-(2-methylsulfanyl-1,3-dihydroisoindol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 142362638
2-[4-cyano-4-[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 66711909
(3R,4S)-4-[4-[[7-(2-hydroxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3-methoxyphenyl]-1-(2-methoxyethyl)piperidin-3-ol
CID 136942061
[(2R)-3-[4-[2-fluoro-5-methoxy-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]-2-hydroxypropyl] 2,2,2-trifluoroacetate
CID 66711329

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide (CID 56945731) is 2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide is COc1cc(C2CCN(CC(N)=O)CC2)ccc1Nc1ncc2ccc(-c3ncccc3OC)n2n1.
What is the InChIKey of 2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide?
The InChIKey is NFVSDGCDOWJLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-35-22-4-3-11-28-25(22)21-8-6-19-15-29-26(31-33(19)21)30-20-7-5-18(14-23(20)36-2)17-9-12-32(13-10-17)16-24(27)34/h3-8,11,14-15,17H,9-10,12-13,16H2,1-2H3,(H2,27,34)(H,30,31).
What are the key properties of 2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide?
2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide has a molecular weight of 487.56 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-methoxy-4-[[7-(3-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 56945731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).