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

C25H27N5O3 — CID 38601162

IUPAC[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)CC2)c1
InChIInChI=1S/C25H27N5O3/c1-17(2)30-24-21(16-26-30)20(15-22(27-24)23-8-5-13-33-23)25(31)29-11-9-28(10-12-29)18-6-4-7-19(14-18)32-3/h4-8,13-17H,9-12H2,1-3H3
InChIKeyWGMHYCKBBREKEJ-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.24
Rot. Bonds5

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

[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 38601162) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is [6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID38601162
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)CC2)c1
InChIInChI=1S/C25H27N5O3/c1-17(2)30-24-21(16-26-30)20(15-22(27-24)23-8-5-13-33-23)25(31)29-11-9-28(10-12-29)18-6-4-7-19(14-18)32-3/h4-8,13-17H,9-12H2,1-3H3
InChIKeyWGMHYCKBBREKEJ-UHFFFAOYSA-N
XLogP4.24
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 51291729
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
[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 15997015
1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354813
[(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 97325176
N-[1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 86914730
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 39486933
(3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 46570445
[4-(3-nitrophenyl)piperazin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55780554
[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918933
(2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365882

Frequently Asked Questions

What is the IUPAC name of [6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 38601162) is [6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)CC2)c1.
What is the InChIKey of [6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is WGMHYCKBBREKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17(2)30-24-21(16-26-30)20(15-22(27-24)23-8-5-13-33-23)25(31)29-11-9-28(10-12-29)18-6-4-7-19(14-18)32-3/h4-8,13-17H,9-12H2,1-3H3.
What are the key properties of [6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 445.52 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38601162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).