3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H22N8 — CID 24824518

IUPAC3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C20H22N8/c1-27-13-15(11-23-27)16-12-24-28-19(26-18-6-2-3-8-22-18)9-17(25-20(16)28)14-5-4-7-21-10-14/h2-3,6,8-9,11-14,21H,4-5,7,10H2,1H3,(H,22,26)
InChIKeyJABANGKXVZEAJQ-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.74
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24824518) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24824518
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C20H22N8/c1-27-13-15(11-23-27)16-12-24-28-19(26-18-6-2-3-8-22-18)9-17(25-20(16)28)14-5-4-7-21-10-14/h2-3,6,8-9,11-14,21H,4-5,7,10H2,1H3,(H,22,26)
InChIKeyJABANGKXVZEAJQ-UHFFFAOYSA-N
XLogP2.74
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.74
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-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 24824518) is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JABANGKXVZEAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-27-13-15(11-23-27)16-12-24-28-19(26-18-6-2-3-8-22-18)9-17(25-20(16)28)14-5-4-7-21-10-14/h2-3,6,8-9,11-14,21H,4-5,7,10H2,1H3,(H,22,26).
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 374.45 g/mol, XLogP of 2.74, 4 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-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24824518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).