5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride

C13H17ClN4O — CID 175168290

IUPAC5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride
SMILESCl.O=Cc1c[nH]c2ncc(NC3CCNCC3)cc12
InChIInChI=1S/C13H16N4O.ClH/c18-8-9-6-15-13-12(9)5-11(7-16-13)17-10-1-3-14-4-2-10;/h5-8,10,14,17H,1-4H2,(H,15,16);1H
InChIKeyJRCOREZLIWUUBL-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.96
Rot. Bonds3

About 5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride

5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride (PubChem CID 175168290) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride
PubChem CID175168290
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride
SMILESCl.O=Cc1c[nH]c2ncc(NC3CCNCC3)cc12
InChIInChI=1S/C13H16N4O.ClH/c18-8-9-6-15-13-12(9)5-11(7-16-13)17-10-1-3-14-4-2-10;/h5-8,10,14,17H,1-4H2,(H,15,16);1H
InChIKeyJRCOREZLIWUUBL-UHFFFAOYSA-N
XLogP1.96
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(piperidin-4-ylamino)pyridine-3-carbonitrile
CID 171495564
tert-butyl formate;propan-2-yl N-(3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate
CID 175294362
3-chloro-N-[6-[(3-chloroquinolin-6-yl)methyl]cyclotetradecyl]-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 139442838
5-(1,2,4-trihydroxybutyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 171873061
5-N-(azepan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine;trihydrochloride
CID 86775335
S-[3-(3-formyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl] ethanethioate
CID 169457942
N-piperidin-4-yl-1,2-thiazol-4-amine
CID 164646465
3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 53320776
3-[(E)-2-(2,5-difluorophenyl)ethenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90466221
3-[6-(piperidin-4-ylamino)-3-pyridinyl]prop-2-enoic acid;dihydrochloride
CID 68965366
ethane;2-methoxy-3-(piperidin-4-ylamino)benzaldehyde
CID 171102953
3-(5-acetamido-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69010992

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride?
The IUPAC name of 5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride (CID 175168290) is 5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride.
What is the SMILES notation for 5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride?
The canonical SMILES for 5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride is Cl.O=Cc1c[nH]c2ncc(NC3CCNCC3)cc12.
What is the InChIKey of 5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride?
The InChIKey is JRCOREZLIWUUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c18-8-9-6-15-13-12(9)5-11(7-16-13)17-10-1-3-14-4-2-10;/h5-8,10,14,17H,1-4H2,(H,15,16);1H.
What are the key properties of 5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride?
5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;hydrochloride is sourced from PubChem (CID 175168290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).