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

C21H29N7 — CID 53319427

IUPACN-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NC4CCCCC4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C21H29N7/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-3-2-4-8-17)10-19(26-21(18)28)15-6-5-9-22-11-15/h10,12-15,17,22,25H,2-9,11H2,1H3
InChIKeyYFUPVKKUYMTHFV-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.34
Rot. Bonds4

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

N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53319427) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53319427
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC NameN-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NC4CCCCC4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C21H29N7/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-3-2-4-8-17)10-19(26-21(18)28)15-6-5-9-22-11-15/h10,12-15,17,22,25H,2-9,11H2,1H3
InChIKeyYFUPVKKUYMTHFV-UHFFFAOYSA-N
XLogP3.34
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 53319427) is N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(NC4CCCCC4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YFUPVKKUYMTHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-3-2-4-8-17)10-19(26-21(18)28)15-6-5-9-22-11-15/h10,12-15,17,22,25H,2-9,11H2,1H3.
What are the key properties of N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 379.51 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53319427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).