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

C23H29N7O4 — CID 53390933

IUPAC4-amino-N-[4-[(2-hydroxy-2-methylpropanoyl)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(C)(C)O)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C23H29N7O4/c1-23(2,33)22(32)29-15-6-4-14(5-7-15)28-21(31)16-11-17(13-8-9-25-18(10-13)34-3)30-19(16)20(24)26-12-27-30/h8-12,14-15,33H,4-7H2,1-3H3,(H,28,31)(H,29,32)(H2,24,26,27)
InChIKeyWLHGRZHPZGTTDT-UHFFFAOYSA-N
MW467.53 g/mol
LogP1.31
Rot. Bonds6

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

4-amino-N-[4-[(2-hydroxy-2-methylpropanoyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 53390933) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is 4-amino-N-[4-[(2-hydroxy-2-methylpropanoyl)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-hydroxy-2-methylpropanoyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID53390933
Molecular FormulaC23H29N7O4
Molecular Weight467.53 g/mol
Exact Mass467.23
IUPAC Name4-amino-N-[4-[(2-hydroxy-2-methylpropanoyl)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(C)(C)O)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C23H29N7O4/c1-23(2,33)22(32)29-15-6-4-14(5-7-15)28-21(31)16-11-17(13-8-9-25-18(10-13)34-3)30-19(16)20(24)26-12-27-30/h8-12,14-15,33H,4-7H2,1-3H3,(H,28,31)(H,29,32)(H2,24,26,27)
InChIKeyWLHGRZHPZGTTDT-UHFFFAOYSA-N
XLogP1.31
TPSA156.76 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[(2-hydroxy-2-methylpropanoyl)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-hydroxy-2-methylpropanoyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 53390933) is 4-amino-N-[4-[(2-hydroxy-2-methylpropanoyl)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-hydroxy-2-methylpropanoyl)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-hydroxy-2-methylpropanoyl)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(C)(C)O)CC3)c3c(N)ncnn23)ccn1.
What is the InChIKey of 4-amino-N-[4-[(2-hydroxy-2-methylpropanoyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is WLHGRZHPZGTTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-23(2,33)22(32)29-15-6-4-14(5-7-15)28-21(31)16-11-17(13-8-9-25-18(10-13)34-3)30-19(16)20(24)26-12-27-30/h8-12,14-15,33H,4-7H2,1-3H3,(H,28,31)(H,29,32)(H2,24,26,27).
What are the key properties of 4-amino-N-[4-[(2-hydroxy-2-methylpropanoyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-N-[4-[(2-hydroxy-2-methylpropanoyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[(2-hydroxy-2-methylpropanoyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 53390933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).