[1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate

C30H32N8O4 — CID 67138192

IUPAC[1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
SMILESCCc1c(NC(=O)OC2CCN(C(=O)CO)CC2)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12
InChIInChI=1S/C30H32N8O4/c1-2-24-25(35-30(41)42-23-10-12-36(13-11-23)27(40)18-39)17-38-28(24)29(31-19-33-38)34-22-8-9-26-21(14-22)15-32-37(26)16-20-6-4-3-5-7-20/h3-9,14-15,17,19,23,39H,2,10-13,16,18H2,1H3,(H,35,41)(H,31,33,34)
InChIKeySEFGPMAKNSKHSK-UHFFFAOYSA-N
MW568.64 g/mol
LogP3.97
Rot. Bonds8

About [1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate

[1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate (PubChem CID 67138192) has the molecular formula C30H32N8O4 and a molecular weight of 568.64 g/mol. Its IUPAC name is [1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate.

Molecular Properties

Compound Name[1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
PubChem CID67138192
Molecular FormulaC30H32N8O4
Molecular Weight568.64 g/mol
Exact Mass568.25
IUPAC Name[1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
SMILESCCc1c(NC(=O)OC2CCN(C(=O)CO)CC2)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12
InChIInChI=1S/C30H32N8O4/c1-2-24-25(35-30(41)42-23-10-12-36(13-11-23)27(40)18-39)17-38-28(24)29(31-19-33-38)34-22-8-9-26-21(14-22)15-32-37(26)16-20-6-4-3-5-7-20/h3-9,14-15,17,19,23,39H,2,10-13,16,18H2,1H3,(H,35,41)(H,31,33,34)
InChIKeySEFGPMAKNSKHSK-UHFFFAOYSA-N
XLogP3.97
TPSA138.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.64
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate?
The IUPAC name of [1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate (CID 67138192) is [1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate.
What is the SMILES notation for [1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate?
The canonical SMILES for [1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate is CCc1c(NC(=O)OC2CCN(C(=O)CO)CC2)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12.
What is the InChIKey of [1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate?
The InChIKey is SEFGPMAKNSKHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O4/c1-2-24-25(35-30(41)42-23-10-12-36(13-11-23)27(40)18-39)17-38-28(24)29(31-19-33-38)34-22-8-9-26-21(14-22)15-32-37(26)16-20-6-4-3-5-7-20/h3-9,14-15,17,19,23,39H,2,10-13,16,18H2,1H3,(H,35,41)(H,31,33,34).
What are the key properties of [1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate?
[1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate has a molecular weight of 568.64 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate is sourced from PubChem (CID 67138192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).