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

C24H32N8O3 — CID 71225217

IUPAC4-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
SMILESCOc1cc(-c2cc(C(=O)NC3CCC(NC(=O)[C@@H](N)C(C)C)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C24H32N8O3/c1-13(2)20(25)24(34)31-16-6-4-15(5-7-16)30-23(33)17-11-18(14-8-9-27-19(10-14)35-3)32-21(17)22(26)28-12-29-32/h8-13,15-16,20H,4-7,25H2,1-3H3,(H,30,33)(H,31,34)(H2,26,28,29)/t15?,16?,20-/m0/s1
InChIKeyRZBGKVDWNOSVTJ-PMTKGXAQSA-N
MW480.57 g/mol
LogP1.52
Rot. Bonds7

About 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

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 (PubChem CID 71225217) has the molecular formula C24H32N8O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID71225217
Molecular FormulaC24H32N8O3
Molecular Weight480.57 g/mol
Exact Mass480.26
IUPAC Name4-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
SMILESCOc1cc(-c2cc(C(=O)NC3CCC(NC(=O)[C@@H](N)C(C)C)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C24H32N8O3/c1-13(2)20(25)24(34)31-16-6-4-15(5-7-16)30-23(33)17-11-18(14-8-9-27-19(10-14)35-3)32-21(17)22(26)28-12-29-32/h8-13,15-16,20H,4-7,25H2,1-3H3,(H,30,33)(H,31,34)(H2,26,28,29)/t15?,16?,20-/m0/s1
InChIKeyRZBGKVDWNOSVTJ-PMTKGXAQSA-N
XLogP1.52
TPSA162.55 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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 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
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-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225233
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-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-[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-cyclopropyl-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118686681

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2cc(C(=O)NC3CCC(NC(=O)[C@@H](N)C(C)C)CC3)c3c(N)ncnn23)ccn1.
What is the InChIKey of 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?
The InChIKey is RZBGKVDWNOSVTJ-PMTKGXAQSA-N. The full InChI is InChI=1S/C24H32N8O3/c1-13(2)20(25)24(34)31-16-6-4-15(5-7-16)30-23(33)17-11-18(14-8-9-27-19(10-14)35-3)32-21(17)22(26)28-12-29-32/h8-13,15-16,20H,4-7,25H2,1-3H3,(H,30,33)(H,31,34)(H2,26,28,29)/t15?,16?,20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 480.57 g/mol, XLogP of 1.52, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71225217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).