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

C23H29N7O3 — CID 71225265

IUPAC4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCC(N4CCOCC4)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C23H29N7O3/c1-32-20-12-15(6-7-25-20)19-13-18(21-22(24)26-14-27-30(19)21)23(31)28-16-2-4-17(5-3-16)29-8-10-33-11-9-29/h6-7,12-14,16-17H,2-5,8-11H2,1H3,(H,28,31)(H2,24,26,27)
InChIKeyDPPRZJMMBNYQPV-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.76
Rot. Bonds5

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

4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225265) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225265
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCC(N4CCOCC4)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C23H29N7O3/c1-32-20-12-15(6-7-25-20)19-13-18(21-22(24)26-14-27-30(19)21)23(31)28-16-2-4-17(5-3-16)29-8-10-33-11-9-29/h6-7,12-14,16-17H,2-5,8-11H2,1H3,(H,28,31)(H2,24,26,27)
InChIKeyDPPRZJMMBNYQPV-UHFFFAOYSA-N
XLogP1.76
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.76
H-Bond Donors ≤ 52
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-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 71225265) is 4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)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-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is COc1cc(-c2cc(C(=O)NC3CCC(N4CCOCC4)CC3)c3c(N)ncnn23)ccn1.
What is the InChIKey of 4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is DPPRZJMMBNYQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-32-20-12-15(6-7-25-20)19-13-18(21-22(24)26-14-27-30(19)21)23(31)28-16-2-4-17(5-3-16)29-8-10-33-11-9-29/h6-7,12-14,16-17H,2-5,8-11H2,1H3,(H,28,31)(H2,24,26,27).
What are the key properties of 4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 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-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).