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

C20H28N8 — CID 53323332

IUPAC3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NC4CCNCC4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C20H28N8/c1-27-13-15(11-23-27)17-12-24-28-19(25-16-4-7-21-8-5-16)9-18(26-20(17)28)14-3-2-6-22-10-14/h9,11-14,16,21-22,25H,2-8,10H2,1H3
InChIKeyMKSZLOKCNWPUEX-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.76
Rot. Bonds4

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

3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53323332) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53323332
Molecular FormulaC20H28N8
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NC4CCNCC4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C20H28N8/c1-27-13-15(11-23-27)17-12-24-28-19(25-16-4-7-21-8-5-16)9-18(26-20(17)28)14-3-2-6-22-10-14/h9,11-14,16,21-22,25H,2-8,10H2,1H3
InChIKeyMKSZLOKCNWPUEX-UHFFFAOYSA-N
XLogP1.76
TPSA84.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.76
H-Bond Donors ≤ 53
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-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 53323332) is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(NC4CCNCC4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MKSZLOKCNWPUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8/c1-27-13-15(11-23-27)17-12-24-28-19(25-16-4-7-21-8-5-16)9-18(26-20(17)28)14-3-2-6-22-10-14/h9,11-14,16,21-22,25H,2-8,10H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 380.50 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 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-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53323332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).