3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C21H24N8 — CID 53324655

IUPAC3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NCc4cccnc4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C21H24N8/c1-28-14-17(12-25-28)18-13-26-29-20(24-10-15-4-2-6-22-9-15)8-19(27-21(18)29)16-5-3-7-23-11-16/h2,4,6,8-9,12-14,16,23-24H,3,5,7,10-11H2,1H3
InChIKeyPYMKGEWOFSUSQA-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.60
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53324655) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53324655
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NCc4cccnc4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C21H24N8/c1-28-14-17(12-25-28)18-13-26-29-20(24-10-15-4-2-6-22-9-15)8-19(27-21(18)29)16-5-3-7-23-11-16/h2,4,6,8-9,12-14,16,23-24H,3,5,7,10-11H2,1H3
InChIKeyPYMKGEWOFSUSQA-UHFFFAOYSA-N
XLogP2.60
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 53324655) is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(NCc4cccnc4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PYMKGEWOFSUSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-28-14-17(12-25-28)18-13-26-29-20(24-10-15-4-2-6-22-9-15)8-19(27-21(18)29)16-5-3-7-23-11-16/h2,4,6,8-9,12-14,16,23-24H,3,5,7,10-11H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 388.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53324655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).