N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C20H23N7O2 — CID 71225357

IUPACN-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1
InChIInChI=1S/C20H23N7O2/c1-12(28)25-14-2-4-15(5-3-14)26-20(29)16-10-17(13-6-8-22-9-7-13)27-18(16)19(21)23-11-24-27/h6-11,14-15H,2-5H2,1H3,(H,25,28)(H,26,29)(H2,21,23,24)
InChIKeyYLYSDTRTAHLADP-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.55
Rot. Bonds4

About N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225357) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225357
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1
InChIInChI=1S/C20H23N7O2/c1-12(28)25-14-2-4-15(5-3-14)26-20(29)16-10-17(13-6-8-22-9-7-13)27-18(16)19(21)23-11-24-27/h6-11,14-15H,2-5H2,1H3,(H,25,28)(H,26,29)(H2,21,23,24)
InChIKeyYLYSDTRTAHLADP-UHFFFAOYSA-N
XLogP1.55
TPSA127.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 71225357) is N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is CC(=O)NC1CCC(NC(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1.
What is the InChIKey of N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is YLYSDTRTAHLADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-12(28)25-14-2-4-15(5-3-14)26-20(29)16-10-17(13-6-8-22-9-7-13)27-18(16)19(21)23-11-24-27/h6-11,14-15H,2-5H2,1H3,(H,25,28)(H,26,29)(H2,21,23,24).
What are the key properties of N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidocyclohexyl)-4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).