6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

C17H24ClN7 — CID 143440865

IUPAC6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C15H18ClN7.C2H6/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;1-2/h6-9,18H,2-5,17H2,1H3;1-2H3
InChIKeyBHTZBFYMQYFHNS-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.86
Rot. Bonds2

About 6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane

6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (PubChem CID 143440865) has the molecular formula C17H24ClN7 and a molecular weight of 361.88 g/mol. Its IUPAC name is 6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.

Molecular Properties

Compound Name6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
PubChem CID143440865
Molecular FormulaC17H24ClN7
Molecular Weight361.88 g/mol
Exact Mass361.18
IUPAC Name6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
SMILESCC.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C15H18ClN7.C2H6/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;1-2/h6-9,18H,2-5,17H2,1H3;1-2H3
InChIKeyBHTZBFYMQYFHNS-UHFFFAOYSA-N
XLogP2.86
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane with MolForge

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Related Compounds

Sch-900776
CID 46239015
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224745
6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((3S)-piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 46239014
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
Pyrazolo[1,5-a]-1,3,5-triazine, 13-10
CID 42618216
3-(4-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1835852
5-phenyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11724991
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224162
3-(1-methyl-1H-pyrazol-4-yl)-6-phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224163
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224368
6-cyclopropyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224369
3,6-bis(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224372

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The IUPAC name of 6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane (CID 143440865) is 6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane.
What is the SMILES notation for 6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The canonical SMILES for 6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is CC.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)cn1.
What is the InChIKey of 6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
The InChIKey is BHTZBFYMQYFHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN7.C2H6/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;1-2/h6-9,18H,2-5,17H2,1H3;1-2H3.
What are the key properties of 6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane?
6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane has a molecular weight of 361.88 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane is sourced from PubChem (CID 143440865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).