(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride

C20H25Cl2N5O — CID 119373427

IUPAC(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
SMILESCCn1ncc2c(C(=O)N3CCC(N)CC3)cc(-c3ccccc3)nc21.Cl.Cl
InChIInChI=1S/C20H23N5O.2ClH/c1-2-25-19-17(13-22-25)16(20(26)24-10-8-15(21)9-11-24)12-18(23-19)14-6-4-3-5-7-14;;/h3-7,12-13,15H,2,8-11,21H2,1H3;2*1H
InChIKeyDTDYJSDIDDKFGP-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.53
Rot. Bonds3

About (4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride

(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride (PubChem CID 119373427) has the molecular formula C20H25Cl2N5O and a molecular weight of 422.36 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
PubChem CID119373427
Molecular FormulaC20H25Cl2N5O
Molecular Weight422.36 g/mol
Exact Mass421.14
IUPAC Name(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
SMILESCCn1ncc2c(C(=O)N3CCC(N)CC3)cc(-c3ccccc3)nc21.Cl.Cl
InChIInChI=1S/C20H23N5O.2ClH/c1-2-25-19-17(13-22-25)16(20(26)24-10-8-15(21)9-11-24)12-18(23-19)14-6-4-3-5-7-14;;/h3-7,12-13,15H,2,8-11,21H2,1H3;2*1H
InChIKeyDTDYJSDIDDKFGP-UHFFFAOYSA-N
XLogP3.53
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride with MolForge

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Related Compounds

(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560360
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 42931045
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55803970
[4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39571179
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78835833
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 32539440
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854334
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112807516
(6R)-4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-6-methylmorpholine-2-carboxylic acid
CID 120536024
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112807539
(2,3-dimethylpiperazin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120571860
[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26020581

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride (CID 119373427) is (4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride is CCn1ncc2c(C(=O)N3CCC(N)CC3)cc(-c3ccccc3)nc21.Cl.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?
The InChIKey is DTDYJSDIDDKFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.2ClH/c1-2-25-19-17(13-22-25)16(20(26)24-10-8-15(21)9-11-24)12-18(23-19)14-6-4-3-5-7-14;;/h3-7,12-13,15H,2,8-11,21H2,1H3;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride has a molecular weight of 422.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119373427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).