4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine

C16H24N6O — CID 166278947

IUPAC4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine
SMILESCc1nc(N2CCCC[C@H](N3CCOCC3)C2)c2cn[nH]c2n1
InChIInChI=1S/C16H24N6O/c1-12-18-15-14(10-17-20-15)16(19-12)22-5-3-2-4-13(11-22)21-6-8-23-9-7-21/h10,13H,2-9,11H2,1H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyPUFWLVMOQYEBER-ZDUSSCGKSA-N
MW316.41 g/mol
LogP1.35
Rot. Bonds2

About 4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine

4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine (PubChem CID 166278947) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine
PubChem CID166278947
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine
SMILESCc1nc(N2CCCC[C@H](N3CCOCC3)C2)c2cn[nH]c2n1
InChIInChI=1S/C16H24N6O/c1-12-18-15-14(10-17-20-15)16(19-12)22-5-3-2-4-13(11-22)21-6-8-23-9-7-21/h10,13H,2-9,11H2,1H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyPUFWLVMOQYEBER-ZDUSSCGKSA-N
XLogP1.35
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine with MolForge

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Related Compounds

1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carbonitrile
CID 178106501
[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 178104863
ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 178044688
1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbonitrile
CID 178105996
1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95578448
1,6-dimethyl-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816166
(9aS)-2-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56890769
N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904318
N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 102971502
6-(3-morpholin-4-ylpyrrolidin-1-yl)-1H-indazol-5-amine
CID 107490188
N-[4-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyridazine-4-carboxamide
CID 167907740
4-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]morpholine
CID 172899897

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine?
The IUPAC name of 4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine (CID 166278947) is 4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine.
What is the SMILES notation for 4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine?
The canonical SMILES for 4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine is Cc1nc(N2CCCC[C@H](N3CCOCC3)C2)c2cn[nH]c2n1.
What is the InChIKey of 4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine?
The InChIKey is PUFWLVMOQYEBER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12-18-15-14(10-17-20-15)16(19-12)22-5-3-2-4-13(11-22)21-6-8-23-9-7-21/h10,13H,2-9,11H2,1H3,(H,17,18,19,20)/t13-/m0/s1.
What are the key properties of 4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine?
4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine has a molecular weight of 316.41 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)azepan-3-yl]morpholine is sourced from PubChem (CID 166278947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).