4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine

C18H19N5O — CID 138050709

IUPAC4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESc1ccc(Oc2ccnc(NCc3cnn4c3CCCC4)n2)cc1
InChIInChI=1S/C18H19N5O/c1-2-6-15(7-3-1)24-17-9-10-19-18(22-17)20-12-14-13-21-23-11-5-4-8-16(14)23/h1-3,6-7,9-10,13H,4-5,8,11-12H2,(H,19,20,22)
InChIKeyWOPPTQXVGXWATC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.41
Rot. Bonds5

About 4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine

4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 138050709) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID138050709
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESc1ccc(Oc2ccnc(NCc3cnn4c3CCCC4)n2)cc1
InChIInChI=1S/C18H19N5O/c1-2-6-15(7-3-1)24-17-9-10-19-18(22-17)20-12-14-13-21-23-11-5-4-8-16(14)23/h1-3,6-7,9-10,13H,4-5,8,11-12H2,(H,19,20,22)
InChIKeyWOPPTQXVGXWATC-UHFFFAOYSA-N
XLogP3.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 56574207
N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine
CID 167914287
N-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 91629615
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine
CID 166229235
N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine
CID 167822808
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenoxypyrimidin-2-amine
CID 172514967
4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 171989082
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 162380148
2-phenoxy-5,6,7,8-tetrahydroquinoline
CID 141121654
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 56575278
4-(azepan-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889908

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine (CID 138050709) is 4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine is c1ccc(Oc2ccnc(NCc3cnn4c3CCCC4)n2)cc1.
What is the InChIKey of 4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is WOPPTQXVGXWATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-6-15(7-3-1)24-17-9-10-19-18(22-17)20-12-14-13-21-23-11-5-4-8-16(14)23/h1-3,6-7,9-10,13H,4-5,8,11-12H2,(H,19,20,22).
What are the key properties of 4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine?
4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 138050709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).