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

C24H24N6O — CID 166529681

IUPAC5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2ccc(CNc3cc(OC4CNC4)nc4c(C5CC5)cnn34)cc2)nc1
InChIInChI=1S/C24H24N6O/c1-2-10-26-21(3-1)18-6-4-16(5-7-18)12-27-22-11-23(31-19-13-25-14-19)29-24-20(17-8-9-17)15-28-30(22)24/h1-7,10-11,15,17,19,25,27H,8-9,12-14H2
InChIKeyOBLHGEMELWSIQC-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.63
Rot. Bonds7

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

5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 166529681) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID166529681
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2ccc(CNc3cc(OC4CNC4)nc4c(C5CC5)cnn34)cc2)nc1
InChIInChI=1S/C24H24N6O/c1-2-10-26-21(3-1)18-6-4-16(5-7-18)12-27-22-11-23(31-19-13-25-14-19)29-24-20(17-8-9-17)15-28-30(22)24/h1-7,10-11,15,17,19,25,27H,8-9,12-14H2
InChIKeyOBLHGEMELWSIQC-UHFFFAOYSA-N
XLogP3.63
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-aminoazetidin-1-yl)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 166529393
3-cyclopropyl-7-N-[(2-fluoro-4-pyridin-2-ylphenyl)methyl]-5-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 166529651
5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 166529641
5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 166529662
5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 166529556
(3R,4R)-4-[[[3-chloro-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 166529604
3-bromo-5-chloro-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 176916956
tert-butyl (3R)-3-[3-cyclopropyl-7-[(2-methylpropan-2-yl)oxycarbonyl-[(4-pyridin-2-ylphenyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidine-1-carboxylate
CID 166529572
7-N-[(3-chlorophenyl)methyl]-3-cyclopropyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;hydrochloride
CID 155104186
tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 166529619
CID 176916944
CID 176916944
2-N-(4-iminocyclohexyl)-8-iodo-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 176916884

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 166529681) is 5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is c1ccc(-c2ccc(CNc3cc(OC4CNC4)nc4c(C5CC5)cnn34)cc2)nc1.
What is the InChIKey of 5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OBLHGEMELWSIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-2-10-26-21(3-1)18-6-4-16(5-7-18)12-27-22-11-23(31-19-13-25-14-19)29-24-20(17-8-9-17)15-28-30(22)24/h1-7,10-11,15,17,19,25,27H,8-9,12-14H2.
What are the key properties of 5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 412.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-3-cyclopropyl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 166529681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).