1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol

C23H27ClN6O4 — CID 142498700

IUPAC1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol
SMILESCCCCC(O)c1ccc2c(Nc3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)nc(Cl)nn12
InChIInChI=1S/C23H27ClN6O4/c1-5-6-7-17(31)15-8-9-16-22(27-23(24)28-30(15)16)26-20-12-29(13-25-20)14-10-18(32-2)21(34-4)19(11-14)33-3/h8-13,17,31H,5-7H2,1-4H3,(H,26,27,28)
InChIKeyQGTFKLLKVBHUJW-UHFFFAOYSA-N
MW486.96 g/mol
LogP4.56
Rot. Bonds10

About 1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol

1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol (PubChem CID 142498700) has the molecular formula C23H27ClN6O4 and a molecular weight of 486.96 g/mol. Its IUPAC name is 1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol.

Molecular Properties

Compound Name1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol
PubChem CID142498700
Molecular FormulaC23H27ClN6O4
Molecular Weight486.96 g/mol
Exact Mass486.18
IUPAC Name1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol
SMILESCCCCC(O)c1ccc2c(Nc3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)nc(Cl)nn12
InChIInChI=1S/C23H27ClN6O4/c1-5-6-7-17(31)15-8-9-16-22(27-23(24)28-30(15)16)26-20-12-29(13-25-20)14-10-18(32-2)21(34-4)19(11-14)33-3/h8-13,17,31H,5-7H2,1-4H3,(H,26,27,28)
InChIKeyQGTFKLLKVBHUJW-UHFFFAOYSA-N
XLogP4.56
TPSA107.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
CID 142497948
6-pentan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775932
1-[(2R)-butan-2-yl]-6-prop-1-en-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775706
1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775935
6-butan-2-yl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775866
1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775795
2-[(2R)-2-ethylpyrrolidin-1-yl]-7-(piperidin-1-ylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 142497984
2-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 170775798
(2R)-1-[7-(piperidin-1-ylmethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 137363409
tert-butyl 2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 142498469
3-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]benzamide
CID 142497985
1-cyclopropyl-6-(cyclopropylmethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775729

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol?
The IUPAC name of 1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol (CID 142498700) is 1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol.
What is the SMILES notation for 1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol?
The canonical SMILES for 1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol is CCCCC(O)c1ccc2c(Nc3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)nc(Cl)nn12.
What is the InChIKey of 1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol?
The InChIKey is QGTFKLLKVBHUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O4/c1-5-6-7-17(31)15-8-9-16-22(27-23(24)28-30(15)16)26-20-12-29(13-25-20)14-10-18(32-2)21(34-4)19(11-14)33-3/h8-13,17,31H,5-7H2,1-4H3,(H,26,27,28).
What are the key properties of 1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol?
1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol has a molecular weight of 486.96 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]pentan-1-ol is sourced from PubChem (CID 142498700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).