(4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H15N5S — CID 25316000

IUPAC(4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC[C@H]1c2ccsc2CCN1c1ncnc2c1cnn2C
InChIInChI=1S/C14H15N5S/c1-9-10-4-6-20-12(10)3-5-19(9)14-11-7-17-18(2)13(11)15-8-16-14/h4,6-9H,3,5H2,1-2H3/t9-/m0/s1
InChIKeyXUWZHJOPEHUMNB-VIFPVBQESA-N
MW285.38 g/mol
LogP2.55
Rot. Bonds1

About (4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

(4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 25316000) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is (4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name(4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID25316000
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name(4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC[C@H]1c2ccsc2CCN1c1ncnc2c1cnn2C
InChIInChI=1S/C14H15N5S/c1-9-10-4-6-20-12(10)3-5-19(9)14-11-7-17-18(2)13(11)15-8-16-14/h4,6-9H,3,5H2,1-2H3/t9-/m0/s1
InChIKeyXUWZHJOPEHUMNB-VIFPVBQESA-N
XLogP2.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729494
5-(6-chloro-5-ethylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729324
5-(6-chloro-5-propylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729322
1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133343935
5-(6-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 115416778
5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79081457
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 94015449
5-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-4-amine
CID 83265918
[4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]methanamine
CID 80506211
4-ethyl-5-quinazolin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 24508226
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoxalin-2-amine
CID 102985686

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of (4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 25316000) is (4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for (4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for (4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is C[C@H]1c2ccsc2CCN1c1ncnc2c1cnn2C.
What is the InChIKey of (4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is XUWZHJOPEHUMNB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N5S/c1-9-10-4-6-20-12(10)3-5-19(9)14-11-7-17-18(2)13(11)15-8-16-14/h4,6-9H,3,5H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
(4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 285.38 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 25316000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).