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

C24H30N8O3 — CID 71225330

IUPAC4-amino-N-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCC(NC(=O)C4(CN)CC4)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C24H30N8O3/c1-35-19-10-14(6-9-27-19)18-11-17(20-21(26)28-13-29-32(18)20)22(33)30-15-2-4-16(5-3-15)31-23(34)24(12-25)7-8-24/h6,9-11,13,15-16H,2-5,7-8,12,25H2,1H3,(H,30,33)(H,31,34)(H2,26,28,29)
InChIKeySTJFOQNHYGBJMM-UHFFFAOYSA-N
MW478.56 g/mol
LogP1.28
Rot. Bonds7

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

4-amino-N-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225330) has the molecular formula C24H30N8O3 and a molecular weight of 478.56 g/mol. Its IUPAC name is 4-amino-N-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225330
Molecular FormulaC24H30N8O3
Molecular Weight478.56 g/mol
Exact Mass478.24
IUPAC Name4-amino-N-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCC(NC(=O)C4(CN)CC4)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C24H30N8O3/c1-35-19-10-14(6-9-27-19)18-11-17(20-21(26)28-13-29-32(18)20)22(33)30-15-2-4-16(5-3-15)31-23(34)24(12-25)7-8-24/h6,9-11,13,15-16H,2-5,7-8,12,25H2,1H3,(H,30,33)(H,31,34)(H2,26,28,29)
InChIKeySTJFOQNHYGBJMM-UHFFFAOYSA-N
XLogP1.28
TPSA162.55 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[[1-(aminomethyl)cyclopropanecarbonyl]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-[[1-(aminomethyl)cyclopropanecarbonyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 71225330) is 4-amino-N-[4-[[1-(aminomethyl)cyclopropanecarbonyl]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-[[1-(aminomethyl)cyclopropanecarbonyl]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-[[1-(aminomethyl)cyclopropanecarbonyl]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)C4(CN)CC4)CC3)c3c(N)ncnn23)ccn1.
What is the InChIKey of 4-amino-N-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is STJFOQNHYGBJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O3/c1-35-19-10-14(6-9-27-19)18-11-17(20-21(26)28-13-29-32(18)20)22(33)30-15-2-4-16(5-3-15)31-23(34)24(12-25)7-8-24/h6,9-11,13,15-16H,2-5,7-8,12,25H2,1H3,(H,30,33)(H,31,34)(H2,26,28,29).
What are the key properties of 4-amino-N-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-N-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 1.28, 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-[[1-(aminomethyl)cyclopropanecarbonyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).