[1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate

C19H21N7O3 — CID 71225550

IUPAC[1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1
InChIInChI=1S/C19H21N7O3/c20-17-16-14(18(27)25-7-3-12(4-8-25)10-29-19(21)28)9-15(26(16)24-11-23-17)13-1-5-22-6-2-13/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H2,21,28)(H2,20,23,24)
InChIKeyYUPSUWMFMDJRRX-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.32
Rot. Bonds4

About [1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate

[1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate (PubChem CID 71225550) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is [1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate
PubChem CID71225550
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name[1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1
InChIInChI=1S/C19H21N7O3/c20-17-16-14(18(27)25-7-3-12(4-8-25)10-29-19(21)28)9-15(26(16)24-11-23-17)13-1-5-22-6-2-13/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H2,21,28)(H2,20,23,24)
InChIKeyYUPSUWMFMDJRRX-UHFFFAOYSA-N
XLogP1.32
TPSA141.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate?
The IUPAC name of [1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate (CID 71225550) is [1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate.
What is the SMILES notation for [1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate?
The canonical SMILES for [1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate is NC(=O)OCC1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1.
What is the InChIKey of [1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate?
The InChIKey is YUPSUWMFMDJRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c20-17-16-14(18(27)25-7-3-12(4-8-25)10-29-19(21)28)9-15(26(16)24-11-23-17)13-1-5-22-6-2-13/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H2,21,28)(H2,20,23,24).
What are the key properties of [1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate?
[1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate has a molecular weight of 395.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)piperidin-4-yl]methyl carbamate is sourced from PubChem (CID 71225550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).