[3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide

C24H19F2N5O2 — CID 24775016

IUPAC[3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide
SMILESN#CNc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1
InChIInChI=1S/C24H19F2N5O2/c25-24(26)33-21-7-6-17(11-22(21)32-13-15-4-5-15)20-8-9-28-23-12-19(30-31(20)23)16-2-1-3-18(10-16)29-14-27/h1-3,6-12,15,24,29H,4-5,13H2
InChIKeyMREUEHBDXHVNMD-UHFFFAOYSA-N
MW447.45 g/mol
LogP5.35
Rot. Bonds8

About [3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide

[3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide (PubChem CID 24775016) has the molecular formula C24H19F2N5O2 and a molecular weight of 447.45 g/mol. Its IUPAC name is [3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide.

Molecular Properties

Compound Name[3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide
PubChem CID24775016
Molecular FormulaC24H19F2N5O2
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC Name[3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide
SMILESN#CNc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1
InChIInChI=1S/C24H19F2N5O2/c25-24(26)33-21-7-6-17(11-22(21)32-13-15-4-5-15)20-8-9-28-23-12-19(30-31(20)23)16-2-1-3-18(10-16)29-14-27/h1-3,6-12,15,24,29H,4-5,13H2
InChIKeyMREUEHBDXHVNMD-UHFFFAOYSA-N
XLogP5.35
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 24776132
methyl 3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzoate
CID 24775483
3-bromo-7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 24775292
3-[7-[2-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1H-pyridin-2-one
CID 142681487
2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole
CID 141172015
(2S)-2-amino-N-[3-[1-[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyrazol-3-yl]phenyl]propanamide
CID 25120503
3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
CID 58970133
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
2-[4-[1-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]phenoxy]acetic acid
CID 25115822
N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide
CID 54255513
4-[1-[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1-oxidopyridin-1-ium
CID 25159310
methyl 2-[[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]amino]-2-oxoacetate
CID 54502547

Frequently Asked Questions

What is the IUPAC name of [3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide?
The IUPAC name of [3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide (CID 24775016) is [3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide.
What is the SMILES notation for [3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide?
The canonical SMILES for [3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide is N#CNc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1.
What is the InChIKey of [3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide?
The InChIKey is MREUEHBDXHVNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2/c25-24(26)33-21-7-6-17(11-22(21)32-13-15-4-5-15)20-8-9-28-23-12-19(30-31(20)23)16-2-1-3-18(10-16)29-14-27/h1-3,6-12,15,24,29H,4-5,13H2.
What are the key properties of [3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide?
[3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide has a molecular weight of 447.45 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]cyanamide is sourced from PubChem (CID 24775016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).