4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C18H20N6O3 — CID 71225066

IUPAC4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCOCC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C18H20N6O3/c1-26-15-8-11(2-5-20-15)14-9-13(16-17(19)21-10-22-24(14)16)18(25)23-12-3-6-27-7-4-12/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,23,25)(H2,19,21,22)
InChIKeyKRFDUCHDLJHQAV-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.29
Rot. Bonds4

About 4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225066) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225066
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCOCC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C18H20N6O3/c1-26-15-8-11(2-5-20-15)14-9-13(16-17(19)21-10-22-24(14)16)18(25)23-12-3-6-27-7-4-12/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,23,25)(H2,19,21,22)
InChIKeyKRFDUCHDLJHQAV-UHFFFAOYSA-N
XLogP1.29
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide with MolForge

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Related Compounds

4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225265
4-amino-7-(2-methoxy-4-pyridinyl)-N-[(3R)-piperidin-3-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225176
4-amino-N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225217
4-amino-7-(2-methoxy-4-pyridinyl)-N-[4-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225283
N-[4-[[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]amino]cyclohexyl]thiadiazole-4-carboxamide
CID 53472630
4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225233
4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225343
4-amino-7-(2-methoxy-4-pyridinyl)-N-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225116
4-amino-N-[(3-methoxyphenyl)methyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225557
1-[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-[4-[5-(methoxymethyl)-1H-pyrazol-3-yl]cyclohexyl]ethanone
CID 161075921
N-[(3R)-1-[4-amino-7-[2-(difluoromethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-5-(difluoromethyl)-3-morpholin-4-ylthiophene-2-carboxamide
CID 178063928
4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid
CID 71225228

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 71225066) is 4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is COc1cc(-c2cc(C(=O)NC3CCOCC3)c3c(N)ncnn23)ccn1.
What is the InChIKey of 4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is KRFDUCHDLJHQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-26-15-8-11(2-5-20-15)14-9-13(16-17(19)21-10-22-24(14)16)18(25)23-12-3-6-27-7-4-12/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,23,25)(H2,19,21,22).
What are the key properties of 4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).