N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide

C23H29N9O3 — CID 160614014

IUPACN-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(-c2nn3c(-c4cnn(C5CCCCO5)c4)cnc3c(=O)n2C(C)C)cn1
InChIInChI=1S/C23H29N9O3/c1-15(2)31-21(18-11-26-29(13-18)8-7-24-16(3)33)28-32-19(12-25-22(32)23(31)34)17-10-27-30(14-17)20-6-4-5-9-35-20/h10-15,20H,4-9H2,1-3H3,(H,24,33)
InChIKeyRFVUCAQPMIKRNU-UHFFFAOYSA-N
MW479.55 g/mol
LogP2.03
Rot. Bonds7

About N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide

N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide (PubChem CID 160614014) has the molecular formula C23H29N9O3 and a molecular weight of 479.55 g/mol. Its IUPAC name is N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide
PubChem CID160614014
Molecular FormulaC23H29N9O3
Molecular Weight479.55 g/mol
Exact Mass479.24
IUPAC NameN-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc(-c2nn3c(-c4cnn(C5CCCCO5)c4)cnc3c(=O)n2C(C)C)cn1
InChIInChI=1S/C23H29N9O3/c1-15(2)31-21(18-11-26-29(13-18)8-7-24-16(3)33)28-32-19(12-25-22(32)23(31)34)17-10-27-30(14-17)20-6-4-5-9-35-20/h10-15,20H,4-9H2,1-3H3,(H,24,33)
InChIKeyRFVUCAQPMIKRNU-UHFFFAOYSA-N
XLogP2.03
TPSA126.16 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.55
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide 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 N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide (CID 160614014) is N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide is CC(=O)NCCn1cc(-c2nn3c(-c4cnn(C5CCCCO5)c4)cnc3c(=O)n2C(C)C)cn1.
What is the InChIKey of N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide?
The InChIKey is RFVUCAQPMIKRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O3/c1-15(2)31-21(18-11-26-29(13-18)8-7-24-16(3)33)28-32-19(12-25-22(32)23(31)34)17-10-27-30(14-17)20-6-4-5-9-35-20/h10-15,20H,4-9H2,1-3H3,(H,24,33).
What are the key properties of N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide?
N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide has a molecular weight of 479.55 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[7-[1-(oxan-2-yl)pyrazol-4-yl]-4-oxo-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-2-yl]pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 160614014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).