[3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine

C18H13Cl2N5 — CID 69004811

IUPAC[3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1ccn2ncc(-c3cccc(Cl)c3Cl)c2n1
InChIInChI=1S/C18H13Cl2N5/c19-14-5-1-4-12(16(14)20)13-10-23-25-8-6-15(24-18(13)25)17(21)11-3-2-7-22-9-11/h1-10,17H,21H2
InChIKeyLUZWMSBTLDRWFQ-UHFFFAOYSA-N
MW370.24 g/mol
LogP4.15
Rot. Bonds3

About [3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine

[3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine (PubChem CID 69004811) has the molecular formula C18H13Cl2N5 and a molecular weight of 370.24 g/mol. Its IUPAC name is [3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name[3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine
PubChem CID69004811
Molecular FormulaC18H13Cl2N5
Molecular Weight370.24 g/mol
Exact Mass369.05
IUPAC Name[3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1ccn2ncc(-c3cccc(Cl)c3Cl)c2n1
InChIInChI=1S/C18H13Cl2N5/c19-14-5-1-4-12(16(14)20)13-10-23-25-8-6-15(24-18(13)25)17(21)11-3-2-7-22-9-11/h1-10,17H,21H2
InChIKeyLUZWMSBTLDRWFQ-UHFFFAOYSA-N
XLogP4.15
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine
CID 69107746
(2,6-dichlorophenyl)-pyridin-3-ylmethanamine
CID 115799088
[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine
CID 68707615
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662501
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(2-methylpyrimidin-4-yl)-pyridin-3-ylmethanamine
CID 115530395
(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417
4-chloro-3-(2,3-dichlorophenyl)pyridine
CID 118828416
(S)-pyridin-2-yl(pyridin-3-yl)methanamine
CID 86315357
(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine
CID 68692139
5-methyl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 176942036

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine?
The IUPAC name of [3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine (CID 69004811) is [3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine.
What is the SMILES notation for [3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine?
The canonical SMILES for [3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine is NC(c1cccnc1)c1ccn2ncc(-c3cccc(Cl)c3Cl)c2n1.
What is the InChIKey of [3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine?
The InChIKey is LUZWMSBTLDRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5/c19-14-5-1-4-12(16(14)20)13-10-23-25-8-6-15(24-18(13)25)17(21)11-3-2-7-22-9-11/h1-10,17H,21H2.
What are the key properties of [3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine?
[3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine has a molecular weight of 370.24 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyridin-3-ylmethanamine is sourced from PubChem (CID 69004811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).