1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine

C20H25N7 — CID 95730137

IUPAC1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine
SMILESC[C@@H]1CCCCN1C1CN(c2nc(-c3cccnc3)nc3c2cnn3C)C1
InChIInChI=1S/C20H25N7/c1-14-6-3-4-9-27(14)16-12-26(13-16)20-17-11-22-25(2)19(17)23-18(24-20)15-7-5-8-21-10-15/h5,7-8,10-11,14,16H,3-4,6,9,12-13H2,1-2H3/t14-/m1/s1
InChIKeyQBINABLRXXGRGF-CQSZACIVSA-N
MW363.47 g/mol
LogP2.49
Rot. Bonds3

About 1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine

1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 95730137) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine
PubChem CID95730137
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine
SMILESC[C@@H]1CCCCN1C1CN(c2nc(-c3cccnc3)nc3c2cnn3C)C1
InChIInChI=1S/C20H25N7/c1-14-6-3-4-9-27(14)16-12-26(13-16)20-17-11-22-25(2)19(17)23-18(24-20)15-7-5-8-21-10-15/h5,7-8,10-11,14,16H,3-4,6,9,12-13H2,1-2H3/t14-/m1/s1
InChIKeyQBINABLRXXGRGF-CQSZACIVSA-N
XLogP2.49
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 56900542
(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 95709255
(2S)-2-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 95717258
4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
CID 95867255
1-[4-[1-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-pyridin-3-ylurea
CID 25260600
2-[(2S)-1-(cyclopropylmethyl)-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 98769620
1-ethyl-4-[(3S)-3-phenoxypyrrolidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine
CID 155096536
3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine
CID 124749207
1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
CID 95729184
6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 71690948
2-methyl-N-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 70785726
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine (CID 95730137) is 1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine is C[C@@H]1CCCCN1C1CN(c2nc(-c3cccnc3)nc3c2cnn3C)C1.
What is the InChIKey of 1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is QBINABLRXXGRGF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N7/c1-14-6-3-4-9-27(14)16-12-26(13-16)20-17-11-22-25(2)19(17)23-18(24-20)15-7-5-8-21-10-15/h5,7-8,10-11,14,16H,3-4,6,9,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine?
1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 363.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 95730137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).