[(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

C21H27N5O2 — CID 95143619

IUPAC[(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCC[C@@H](N(C)C)C3)cc(-c3ccco3)nc21
InChIInChI=1S/C21H27N5O2/c1-14(2)26-20-17(12-22-26)16(11-18(23-20)19-8-6-10-28-19)21(27)25-9-5-7-15(13-25)24(3)4/h6,8,10-12,14-15H,5,7,9,13H2,1-4H3/t15-/m1/s1
InChIKeyMAXAJMARTQABBE-OAHLLOKOSA-N
MW381.48 g/mol
LogP3.44
Rot. Bonds4

About [(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

[(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 95143619) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID95143619
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCC[C@@H](N(C)C)C3)cc(-c3ccco3)nc21
InChIInChI=1S/C21H27N5O2/c1-14(2)26-20-17(12-22-26)16(11-18(23-20)19-8-6-10-28-19)21(27)25-9-5-7-15(13-25)24(3)4/h6,8,10-12,14-15H,5,7,9,13H2,1-4H3/t15-/m1/s1
InChIKeyMAXAJMARTQABBE-OAHLLOKOSA-N
XLogP3.44
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 119596507
[(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 97325176
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 51291729
1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354813
(2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365882
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 51291906
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride
CID 120817206
4-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33008288
N,N-diethyl-4-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxamide
CID 38719391
N-[1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 86914730
2-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]acetic acid
CID 119346529
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38601162

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of [(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 95143619) is [(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for [(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is CC(C)n1ncc2c(C(=O)N3CCC[C@@H](N(C)C)C3)cc(-c3ccco3)nc21.
What is the InChIKey of [(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is MAXAJMARTQABBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14(2)26-20-17(12-22-26)16(11-18(23-20)19-8-6-10-28-19)21(27)25-9-5-7-15(13-25)24(3)4/h6,8,10-12,14-15H,5,7,9,13H2,1-4H3/t15-/m1/s1.
What are the key properties of [(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
[(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 95143619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).