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

C22H24N8O3 — CID 71225233

IUPAC4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCC(NC(=O)CC#N)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C22H24N8O3/c1-33-19-10-13(7-9-25-19)17-11-16(20-21(24)26-12-27-30(17)20)22(32)29-15-4-2-14(3-5-15)28-18(31)6-8-23/h7,9-12,14-15H,2-6H2,1H3,(H,28,31)(H,29,32)(H2,24,26,27)
InChIKeyCMXCNXWHGWALGM-UHFFFAOYSA-N
MW448.49 g/mol
LogP1.45
Rot. Bonds6

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

4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225233) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225233
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCC(NC(=O)CC#N)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C22H24N8O3/c1-33-19-10-13(7-9-25-19)17-11-16(20-21(24)26-12-27-30(17)20)22(32)29-15-4-2-14(3-5-15)28-18(31)6-8-23/h7,9-12,14-15H,2-6H2,1H3,(H,28,31)(H,29,32)(H2,24,26,27)
InChIKeyCMXCNXWHGWALGM-UHFFFAOYSA-N
XLogP1.45
TPSA160.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)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-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225066
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-[[(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-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225265
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
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-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
4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid
CID 71225228
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 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) is 4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is COc1cc(-c2cc(C(=O)NC3CCC(NC(=O)CC#N)CC3)c3c(N)ncnn23)ccn1.
What is the InChIKey of 4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is CMXCNXWHGWALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-33-19-10-13(7-9-25-19)17-11-16(20-21(24)26-12-27-30(17)20)22(32)29-15-4-2-14(3-5-15)28-18(31)6-8-23/h7,9-12,14-15H,2-6H2,1H3,(H,28,31)(H,29,32)(H2,24,26,27).
What are the key properties of 4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).