3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C24H19N5O — CID 59662344

IUPAC3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(Oc2ccccc2-c2cnn3ccc(NCc4cccnc4)nc23)cc1
InChIInChI=1S/C24H19N5O/c1-2-8-19(9-3-1)30-22-11-5-4-10-20(22)21-17-27-29-14-12-23(28-24(21)29)26-16-18-7-6-13-25-15-18/h1-15,17H,16H2,(H,26,28)
InChIKeyYPXFYDIXDNNXOT-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.20
Rot. Bonds6

About 3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662344) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662344
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(Oc2ccccc2-c2cnn3ccc(NCc4cccnc4)nc23)cc1
InChIInChI=1S/C24H19N5O/c1-2-8-19(9-3-1)30-22-11-5-4-10-20(22)21-17-27-29-14-12-23(28-24(21)29)26-16-18-7-6-13-25-15-18/h1-15,17H,16H2,(H,26,28)
InChIKeyYPXFYDIXDNNXOT-UHFFFAOYSA-N
XLogP5.20
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,6-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662416
N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 159643619
(E)-3-[3-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]prop-2-enoic acid
CID 59662412
N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 59662460
N-(4-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063211
4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid
CID 123188164
N'-[3-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546230
N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063200
N-(3-hydroxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063125
3-(2-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrazin-8-amine
CID 126472598
2-N-(4-phenoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893518
methyl 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 58063032

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 59662344) is 3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is c1ccc(Oc2ccccc2-c2cnn3ccc(NCc4cccnc4)nc23)cc1.
What is the InChIKey of 3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is YPXFYDIXDNNXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-2-8-19(9-3-1)30-22-11-5-4-10-20(22)21-17-27-29-14-12-23(28-24(21)29)26-16-18-7-6-13-25-15-18/h1-15,17H,16H2,(H,26,28).
What are the key properties of 3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 393.45 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).