5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C21H17ClFN5 — CID 166529641

IUPAC5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cc(CNc2cc(Cl)nc3c(C4CC4)cnn23)ccc1-c1ccccn1
InChIInChI=1S/C21H17ClFN5/c22-19-10-20(28-21(27-19)16(12-26-28)14-5-6-14)25-11-13-4-7-15(17(23)9-13)18-3-1-2-8-24-18/h1-4,7-10,12,14,25H,5-6,11H2
InChIKeyIEEMGCBVAUHMLN-UHFFFAOYSA-N
MW393.85 g/mol
LogP5.07
Rot. Bonds5

About 5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 166529641) has the molecular formula C21H17ClFN5 and a molecular weight of 393.85 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID166529641
Molecular FormulaC21H17ClFN5
Molecular Weight393.85 g/mol
Exact Mass393.12
IUPAC Name5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cc(CNc2cc(Cl)nc3c(C4CC4)cnn23)ccc1-c1ccccn1
InChIInChI=1S/C21H17ClFN5/c22-19-10-20(28-21(27-19)16(12-26-28)14-5-6-14)25-11-13-4-7-15(17(23)9-13)18-3-1-2-8-24-18/h1-4,7-10,12,14,25H,5-6,11H2
InChIKeyIEEMGCBVAUHMLN-UHFFFAOYSA-N
XLogP5.07
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

Amdizalisib
CID 118981804
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
Unc569
CID 53355503
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
3-((3-Bromo-5-o-tolylpyrazolo(1,5-a)pyrimidin-7-ylamino)methyl)pyridine 1-oxide
CID 11304412
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 166529641) is 5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Fc1cc(CNc2cc(Cl)nc3c(C4CC4)cnn23)ccc1-c1ccccn1.
What is the InChIKey of 5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IEEMGCBVAUHMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5/c22-19-10-20(28-21(27-19)16(12-26-28)14-5-6-14)25-11-13-4-7-15(17(23)9-13)18-3-1-2-8-24-18/h1-4,7-10,12,14,25H,5-6,11H2.
What are the key properties of 5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 393.85 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 166529641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).