[3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate

C20H21N7O3 — CID 170657490

IUPAC[3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate
SMILESCOc1nc(NC2CC(C)(OC(N)=O)C2)nn2ccc(-c3ccn4nccc4c3)c12
InChIInChI=1S/C20H21N7O3/c1-20(30-18(21)28)10-13(11-20)23-19-24-17(29-2)16-15(5-8-27(16)25-19)12-4-7-26-14(9-12)3-6-22-26/h3-9,13H,10-11H2,1-2H3,(H2,21,28)(H,23,25)
InChIKeyUUQWLGGQRJFILP-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.48
Rot. Bonds5

About [3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate

[3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate (PubChem CID 170657490) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is [3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate.

Molecular Properties

Compound Name[3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate
PubChem CID170657490
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name[3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate
SMILESCOc1nc(NC2CC(C)(OC(N)=O)C2)nn2ccc(-c3ccn4nccc4c3)c12
InChIInChI=1S/C20H21N7O3/c1-20(30-18(21)28)10-13(11-20)23-19-24-17(29-2)16-15(5-8-27(16)25-19)12-4-7-26-14(9-12)3-6-22-26/h3-9,13H,10-11H2,1-2H3,(H2,21,28)(H,23,25)
InChIKeyUUQWLGGQRJFILP-UHFFFAOYSA-N
XLogP2.48
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate?
The IUPAC name of [3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate (CID 170657490) is [3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate.
What is the SMILES notation for [3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate?
The canonical SMILES for [3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate is COc1nc(NC2CC(C)(OC(N)=O)C2)nn2ccc(-c3ccn4nccc4c3)c12.
What is the InChIKey of [3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate?
The InChIKey is UUQWLGGQRJFILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c1-20(30-18(21)28)10-13(11-20)23-19-24-17(29-2)16-15(5-8-27(16)25-19)12-4-7-26-14(9-12)3-6-22-26/h3-9,13H,10-11H2,1-2H3,(H2,21,28)(H,23,25).
What are the key properties of [3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate?
[3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate has a molecular weight of 407.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxy-5-pyrazolo[1,5-a]pyridin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] carbamate is sourced from PubChem (CID 170657490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).