3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde

C24H26FN5O2 — CID 144699751

IUPAC3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde
SMILESO=Cc1cc(CCc2cnc(Nc3cnn(C4CCOCC4)c3)nc2)c(F)c(C2CC2)c1
InChIInChI=1S/C24H26FN5O2/c25-23-19(9-17(15-31)10-22(23)18-3-4-18)2-1-16-11-26-24(27-12-16)29-20-13-28-30(14-20)21-5-7-32-8-6-21/h9-15,18,21H,1-8H2,(H,26,27,29)
InChIKeyHBMHYMJBOXUNJQ-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.38
Rot. Bonds8

About 3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde

3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde (PubChem CID 144699751) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde.

Molecular Properties

Compound Name3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde
PubChem CID144699751
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde
SMILESO=Cc1cc(CCc2cnc(Nc3cnn(C4CCOCC4)c3)nc2)c(F)c(C2CC2)c1
InChIInChI=1S/C24H26FN5O2/c25-23-19(9-17(15-31)10-22(23)18-3-4-18)2-1-16-11-26-24(27-12-16)29-20-13-28-30(14-20)21-5-7-32-8-6-21/h9-15,18,21H,1-8H2,(H,26,27,29)
InChIKeyHBMHYMJBOXUNJQ-UHFFFAOYSA-N
XLogP4.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-fluoro-3-methoxy-5-[2-[2-[[1-(1-methylazetidin-3-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one
CID 160824966
3-[2-[2-[[1-[(3S)-1-ethylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-4-fluoro-5-methoxy-N-methylbenzamide
CID 118687855
1-[4-fluoro-3-methoxy-5-[2-[2-[[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]phenyl]propan-1-one
CID 160970168
5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 155203641
3-[4-[[5-[2-[2-fluoro-3-methoxy-5-(methylcarbamoyl)phenyl]ethyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylic acid
CID 90419147
4-chloro-3-[2-[2-[(1-cyclobutylpyrazol-4-yl)amino]pyrimidin-5-yl]ethyl]-5-methoxy-N-methylbenzamide
CID 86304980
tert-butyl 4-[4-[[5-[2-(2,6-difluoro-3-methoxy-5-methylphenyl)ethyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 90163899
methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde
CID 144699807
1-[3-[2-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-4-fluoro-5-methoxyphenyl]propan-1-one
CID 158241282
4-N-(4-chloro-3-fluorophenyl)-5-nitro-2-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 90399156
2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carbaldehyde
CID 165142431
4-[(2,6-difluorophenyl)methylamino]-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 154628210

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde?
The IUPAC name of 3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde (CID 144699751) is 3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde.
What is the SMILES notation for 3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde?
The canonical SMILES for 3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde is O=Cc1cc(CCc2cnc(Nc3cnn(C4CCOCC4)c3)nc2)c(F)c(C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde?
The InChIKey is HBMHYMJBOXUNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c25-23-19(9-17(15-31)10-22(23)18-3-4-18)2-1-16-11-26-24(27-12-16)29-20-13-28-30(14-20)21-5-7-32-8-6-21/h9-15,18,21H,1-8H2,(H,26,27,29).
What are the key properties of 3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde?
3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde has a molecular weight of 435.50 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde is sourced from PubChem (CID 144699751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).