4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine

C17H25N5O — CID 70732500

IUPAC4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine
SMILESCc1cc(N2CCC(N3CCOCC3)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H25N5O/c1-12-10-16(22-17(18-12)13(2)14(3)19-22)21-5-4-15(11-21)20-6-8-23-9-7-20/h10,15H,4-9,11H2,1-3H3
InChIKeyMHJNFKIKTUBIBH-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.57
Rot. Bonds2

About 4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine

4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine (PubChem CID 70732500) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine
PubChem CID70732500
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine
SMILESCc1cc(N2CCC(N3CCOCC3)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H25N5O/c1-12-10-16(22-17(18-12)13(2)14(3)19-22)21-5-4-15(11-21)20-6-8-23-9-7-20/h10,15H,4-9,11H2,1-3H3
InChIKeyMHJNFKIKTUBIBH-UHFFFAOYSA-N
XLogP1.57
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-Methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 4906205
2,3,5-trimethyl-N-[1-(tetrahydro-2-furanylmethyl)-4-piperidinyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56886900
(9aS)-2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)octahydro-1H-pyrrolo[1,2-a][1,4]diazepine
CID 56893403
N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56899168
(3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-pyrrolidinol
CID 56910670
1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpiperidin-3-amine
CID 70715483
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70754903
2-(2,3,5-Trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 70766200
5,7-Dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 71698615
4-[2-(Chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 53212070
2-Methyl-1-{[5-methyl-7-(pyrrolidin-1-YL)-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL]methyl}piperidine
CID 53202320
5-Methyl-2-[(3-methylpiperidin-1-yl)methyl]-7-pyrrolidin-1-yl[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202342

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine (CID 70732500) is 4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine is Cc1cc(N2CCC(N3CCOCC3)C2)n2nc(C)c(C)c2n1.
What is the InChIKey of 4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is MHJNFKIKTUBIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-10-16(22-17(18-12)13(2)14(3)19-22)21-5-4-15(11-21)20-6-8-23-9-7-20/h10,15H,4-9,11H2,1-3H3.
What are the key properties of 4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine?
4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 315.42 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 70732500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).