2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde

C24H32N6O2 — CID 90842906

IUPAC2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde
SMILESCc1cc(Nc2c(NCCCN3CCCCC3)nn3ccccc23)c(NCC=O)cc1O
InChIInChI=1S/C24H32N6O2/c1-18-16-20(19(17-22(18)32)25-10-15-31)27-23-21-8-3-6-14-30(21)28-24(23)26-9-7-13-29-11-4-2-5-12-29/h3,6,8,14-17,25,27,32H,2,4-5,7,9-13H2,1H3,(H,26,28)
InChIKeyDSSYKFWYKJYTNO-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.99
Rot. Bonds10

About 2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde

2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde (PubChem CID 90842906) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde.

Molecular Properties

Compound Name2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde
PubChem CID90842906
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde
SMILESCc1cc(Nc2c(NCCCN3CCCCC3)nn3ccccc23)c(NCC=O)cc1O
InChIInChI=1S/C24H32N6O2/c1-18-16-20(19(17-22(18)32)25-10-15-31)27-23-21-8-3-6-14-30(21)28-24(23)26-9-7-13-29-11-4-2-5-12-29/h3,6,8,14-17,25,27,32H,2,4-5,7,9-13H2,1H3,(H,26,28)
InChIKeyDSSYKFWYKJYTNO-UHFFFAOYSA-N
XLogP3.99
TPSA93.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one
CID 59561276
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 62331138
7-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-3,4-dihydro-2H-1,4-benzoxazin-6-one
CID 59561363
3-[3-(azepan-1-yl)propylamino]-1-(3-pyrrolidin-1-ylpropyl)indazol-5-ol;dihydrochloride
CID 70352699
N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175830935
3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine
CID 121421007
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453
3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol
CID 13210615
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 55203597
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide
CID 22581292

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde?
The IUPAC name of 2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde (CID 90842906) is 2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde.
What is the SMILES notation for 2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde?
The canonical SMILES for 2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde is Cc1cc(Nc2c(NCCCN3CCCCC3)nn3ccccc23)c(NCC=O)cc1O.
What is the InChIKey of 2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde?
The InChIKey is DSSYKFWYKJYTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-18-16-20(19(17-22(18)32)25-10-15-31)27-23-21-8-3-6-14-30(21)28-24(23)26-9-7-13-29-11-4-2-5-12-29/h3,6,8,14-17,25,27,32H,2,4-5,7,9-13H2,1H3,(H,26,28).
What are the key properties of 2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde?
2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde has a molecular weight of 436.56 g/mol, XLogP of 3.99, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-4-methyl-2-[[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]amino]anilino]acetaldehyde is sourced from PubChem (CID 90842906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).