3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde

C20H18N6O — CID 143218655

IUPAC3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde
SMILESO=CC1=CC(c2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)=CC=CC1
InChIInChI=1S/C20H18N6O/c27-12-13-3-1-2-4-15(9-13)16-11-19-21-7-8-26(19)20(22-16)23-18-10-17(24-25-18)14-5-6-14/h1-2,4,7-12,14H,3,5-6H2,(H2,22,23,24,25)
InChIKeyDAKGKJOMSIJEHG-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.54
Rot. Bonds5

About 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde

3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde (PubChem CID 143218655) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde.

Molecular Properties

Compound Name3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde
PubChem CID143218655
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde
SMILESO=CC1=CC(c2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)=CC=CC1
InChIInChI=1S/C20H18N6O/c27-12-13-3-1-2-4-15(9-13)16-11-19-21-7-8-26(19)20(22-16)23-18-10-17(24-25-18)14-5-6-14/h1-2,4,7-12,14H,3,5-6H2,(H2,22,23,24,25)
InChIKeyDAKGKJOMSIJEHG-UHFFFAOYSA-N
XLogP3.54
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]acetamide
CID 59298957
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 59298863
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(1H-indol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 59299033
N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide
CID 46893844
4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide
CID 59299114
[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone
CID 59299073
N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide
CID 68842046
[3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142780
[(1S,2R,3S)-3-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
CID 169141116
2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-1-carboxylic acid
CID 68592076
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 66971627
[(1R,2R,3R)-3-[3-[[7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 170118895

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde?
The IUPAC name of 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde (CID 143218655) is 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde.
What is the SMILES notation for 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde?
The canonical SMILES for 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde is O=CC1=CC(c2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)=CC=CC1.
What is the InChIKey of 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde?
The InChIKey is DAKGKJOMSIJEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c27-12-13-3-1-2-4-15(9-13)16-11-19-21-7-8-26(19)20(22-16)23-18-10-17(24-25-18)14-5-6-14/h1-2,4,7-12,14H,3,5-6H2,(H2,22,23,24,25).
What are the key properties of 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde?
3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde has a molecular weight of 358.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde is sourced from PubChem (CID 143218655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).