1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine

C19H24N6O — CID 95729184

IUPAC1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
SMILESCCCO[C@H]1CCCN(c2nc(-c3ccncc3)nc3c2cnn3C)C1
InChIInChI=1S/C19H24N6O/c1-3-11-26-15-5-4-10-25(13-15)19-16-12-21-24(2)18(16)22-17(23-19)14-6-8-20-9-7-14/h6-9,12,15H,3-5,10-11,13H2,1-2H3/t15-/m0/s1
InChIKeyJLCOLEWLFQFCIP-HNNXBMFYSA-N
MW352.44 g/mol
LogP2.82
Rot. Bonds5

About 1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine

1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 95729184) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
PubChem CID95729184
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
SMILESCCCO[C@H]1CCCN(c2nc(-c3ccncc3)nc3c2cnn3C)C1
InChIInChI=1S/C19H24N6O/c1-3-11-26-15-5-4-10-25(13-15)19-16-12-21-24(2)18(16)22-17(23-19)14-6-8-20-9-7-14/h6-9,12,15H,3-5,10-11,13H2,1-2H3/t15-/m0/s1
InChIKeyJLCOLEWLFQFCIP-HNNXBMFYSA-N
XLogP2.82
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95718779
(3S,4S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
CID 56905445
2-[(2S)-1-(cyclopropylmethyl)-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 98769620
2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 56882232
4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
CID 95867255
7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 70767539
[4-(3-propoxypiperidin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103332970
2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol
CID 95871772
1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95882991
2-[4-[3-(2,2-difluoroethoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 166400468
cyclopropyl-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
CID 95724133
4-(3-propoxypiperidin-1-yl)quinolin-3-amine
CID 103963084

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine (CID 95729184) is 1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine is CCCO[C@H]1CCCN(c2nc(-c3ccncc3)nc3c2cnn3C)C1.
What is the InChIKey of 1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is JLCOLEWLFQFCIP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-11-26-15-5-4-10-25(13-15)19-16-12-21-24(2)18(16)22-17(23-19)14-6-8-20-9-7-14/h6-9,12,15H,3-5,10-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine?
1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 352.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 95729184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).