2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine

C18H24ClN7O — CID 166165040

IUPAC2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1cc(-c2cc3nc(Cl)cc(N4CCOCC4)n3n2)nn1CCN(C)C
InChIInChI=1S/C18H24ClN7O/c1-13-10-14(21-25(13)5-4-23(2)3)15-11-17-20-16(19)12-18(26(17)22-15)24-6-8-27-9-7-24/h10-12H,4-9H2,1-3H3
InChIKeyUUNAKVHWHKYHFY-UHFFFAOYSA-N
MW389.89 g/mol
LogP1.95
Rot. Bonds5

About 2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine

2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 166165040) has the molecular formula C18H24ClN7O and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID166165040
Molecular FormulaC18H24ClN7O
Molecular Weight389.89 g/mol
Exact Mass389.17
IUPAC Name2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1cc(-c2cc3nc(Cl)cc(N4CCOCC4)n3n2)nn1CCN(C)C
InChIInChI=1S/C18H24ClN7O/c1-13-10-14(21-25(13)5-4-23(2)3)15-11-17-20-16(19)12-18(26(17)22-15)24-6-8-27-9-7-24/h10-12H,4-9H2,1-3H3
InChIKeyUUNAKVHWHKYHFY-UHFFFAOYSA-N
XLogP1.95
TPSA63.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine (CID 166165040) is 2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine is Cc1cc(-c2cc3nc(Cl)cc(N4CCOCC4)n3n2)nn1CCN(C)C.
What is the InChIKey of 2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is UUNAKVHWHKYHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7O/c1-13-10-14(21-25(13)5-4-23(2)3)15-11-17-20-16(19)12-18(26(17)22-15)24-6-8-27-9-7-24/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine?
2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 389.89 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)-5-methylpyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 166165040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).