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

C21H27N5O2 — CID 119596507

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCC(N)C1CCCN(C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C21H27N5O2/c1-13(2)26-20-17(11-23-26)16(10-18(24-20)19-7-5-9-28-19)21(27)25-8-4-6-15(12-25)14(3)22/h5,7,9-11,13-15H,4,6,8,12,22H2,1-3H3
InChIKeyLOIIGVIHJRFXGP-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.47
Rot. Bonds4

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

[3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 119596507) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID119596507
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCC(N)C1CCCN(C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C21H27N5O2/c1-13(2)26-20-17(11-23-26)16(10-18(24-20)19-7-5-9-28-19)21(27)25-8-4-6-15(12-25)14(3)22/h5,7,9-11,13-15H,4,6,8,12,22H2,1-3H3
InChIKeyLOIIGVIHJRFXGP-UHFFFAOYSA-N
XLogP3.47
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 95143619
[(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 97325176
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119594956
[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
N-[1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 86914730
(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
N,N-diethyl-4-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxamide
CID 38719391
4-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33008288
[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 [3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 119596507) is [3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is CC(N)C1CCCN(C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is LOIIGVIHJRFXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13(2)26-20-17(11-23-26)16(10-18(24-20)19-7-5-9-28-19)21(27)25-8-4-6-15(12-25)14(3)22/h5,7,9-11,13-15H,4,6,8,12,22H2,1-3H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
[3-(1-aminoethyl)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 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 119596507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).