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

C24H32N8O3 — CID 71225116

IUPAC4-amino-7-(2-methoxy-4-pyridinyl)-N-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCNCCN(C)C(=O)C1CCC(NC(=O)c2cc(-c3ccnc(OC)c3)n3ncnc(N)c23)CC1
InChIInChI=1S/C24H32N8O3/c1-26-10-11-31(2)24(34)15-4-6-17(7-5-15)30-23(33)18-13-19(16-8-9-27-20(12-16)35-3)32-21(18)22(25)28-14-29-32/h8-9,12-15,17,26H,4-7,10-11H2,1-3H3,(H,30,33)(H2,25,28,29)
InChIKeyVYDMRPPCRCGQSI-UHFFFAOYSA-N
MW480.57 g/mol
LogP1.35
Rot. Bonds8

About 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

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 (PubChem CID 71225116) has the molecular formula C24H32N8O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-amino-7-(2-methoxy-4-pyridinyl)-N-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225116
Molecular FormulaC24H32N8O3
Molecular Weight480.57 g/mol
Exact Mass480.26
IUPAC Name4-amino-7-(2-methoxy-4-pyridinyl)-N-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCNCCN(C)C(=O)C1CCC(NC(=O)c2cc(-c3ccnc(OC)c3)n3ncnc(N)c23)CC1
InChIInChI=1S/C24H32N8O3/c1-26-10-11-31(2)24(34)15-4-6-17(7-5-15)30-23(33)18-13-19(16-8-9-27-20(12-16)35-3)32-21(18)22(25)28-14-29-32/h8-9,12-15,17,26H,4-7,10-11H2,1-3H3,(H,30,33)(H2,25,28,29)
InChIKeyVYDMRPPCRCGQSI-UHFFFAOYSA-N
XLogP1.35
TPSA139.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNCCN(C)C(=O)C1CCC(NC(=O)c2cc(-c3ccnc(OC)c3)n3ncnc(N)c23)CC1.
What is the InChIKey of 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?
The InChIKey is VYDMRPPCRCGQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O3/c1-26-10-11-31(2)24(34)15-4-6-17(7-5-15)30-23(33)18-13-19(16-8-9-27-20(12-16)35-3)32-21(18)22(25)28-14-29-32/h8-9,12-15,17,26H,4-7,10-11H2,1-3H3,(H,30,33)(H2,25,28,29).
What are the key properties of 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?
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 has a molecular weight of 480.57 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71225116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).