[4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone

C23H20ClN7OS — CID 135887175

IUPAC[4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESNc1ncnn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12
InChIInChI=1S/C23H20ClN7OS/c24-16-3-1-2-14-10-17(28-18(14)16)19-20-21(25)26-12-27-31(20)22(29-19)13-4-7-30(8-5-13)23(32)15-6-9-33-11-15/h1-3,6,9-13,28H,4-5,7-8H2,(H2,25,26,27)
InChIKeyWNRVDHIYPOEEPX-UHFFFAOYSA-N
MW477.98 g/mol
LogP4.59
Rot. Bonds3

About [4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone

[4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 135887175) has the molecular formula C23H20ClN7OS and a molecular weight of 477.98 g/mol. Its IUPAC name is [4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID135887175
Molecular FormulaC23H20ClN7OS
Molecular Weight477.98 g/mol
Exact Mass477.11
IUPAC Name[4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESNc1ncnn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12
InChIInChI=1S/C23H20ClN7OS/c24-16-3-1-2-14-10-17(28-18(14)16)19-20-21(25)26-12-27-31(20)22(29-19)13-4-7-30(8-5-13)23(32)15-6-9-33-11-15/h1-3,6,9-13,28H,4-5,7-8H2,(H2,25,26,27)
InChIKeyWNRVDHIYPOEEPX-UHFFFAOYSA-N
XLogP4.59
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.98
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 135887175) is [4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone is Nc1ncnn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.
What is the InChIKey of [4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is WNRVDHIYPOEEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7OS/c24-16-3-1-2-14-10-17(28-18(14)16)19-20-21(25)26-12-27-31(20)22(29-19)13-4-7-30(8-5-13)23(32)15-6-9-33-11-15/h1-3,6,9-13,28H,4-5,7-8H2,(H2,25,26,27).
What are the key properties of [4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
[4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 477.98 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 135887175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).