1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C16H24N6 — CID 95578448

IUPAC1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCC[C@@H](N3CCCC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H24N6/c1-12-18-15-14(10-17-20(15)2)16(19-12)22-9-5-6-13(11-22)21-7-3-4-8-21/h10,13H,3-9,11H2,1-2H3/t13-/m1/s1
InChIKeyDJIBJEMHFAXISZ-CYBMUJFWSA-N
MW300.41 g/mol
LogP1.74
Rot. Bonds2

About 1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine

1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 95578448) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID95578448
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCC[C@@H](N3CCCC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H24N6/c1-12-18-15-14(10-17-20(15)2)16(19-12)22-9-5-6-13(11-22)21-7-3-4-8-21/h10,13H,3-9,11H2,1-2H3/t13-/m1/s1
InChIKeyDJIBJEMHFAXISZ-CYBMUJFWSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 95708844
(9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 95720333
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 94521513
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 97199860
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-thiophen-2-ylmethanone
CID 97187183
1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 126900211
(3-chlorophenyl)-[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 97196194
1-methyl-4-[3-(2-methylimidazol-1-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-6-amine
CID 136551372
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 163352973
4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 136525360

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 95578448) is 1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine is Cc1nc(N2CCC[C@@H](N3CCCC3)C2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is DJIBJEMHFAXISZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6/c1-12-18-15-14(10-17-20(15)2)16(19-12)22-9-5-6-13(11-22)21-7-3-4-8-21/h10,13H,3-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 300.41 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 95578448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).