N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide

C21H22N6O3 — CID 146667890

IUPACN-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(-c2cc(OC3CC(O)C3)cn3ncc(C#N)c23)cn1
InChIInChI=1S/C21H22N6O3/c1-13(28)23-4-5-24-20-3-2-14(10-25-20)19-8-18(30-17-6-16(29)7-17)12-27-21(19)15(9-22)11-26-27/h2-3,8,10-12,16-17,29H,4-7H2,1H3,(H,23,28)(H,24,25)
InChIKeyISSGDWAIEXTRBS-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.72
Rot. Bonds7

About N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide

N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 146667890) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide
PubChem CID146667890
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC NameN-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(-c2cc(OC3CC(O)C3)cn3ncc(C#N)c23)cn1
InChIInChI=1S/C21H22N6O3/c1-13(28)23-4-5-24-20-3-2-14(10-25-20)19-8-18(30-17-6-16(29)7-17)12-27-21(19)15(9-22)11-26-27/h2-3,8,10-12,16-17,29H,4-7H2,1H3,(H,23,28)(H,24,25)
InChIKeyISSGDWAIEXTRBS-UHFFFAOYSA-N
XLogP1.72
TPSA124.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-4-[6-[2-[methyl(propyl)amino]ethylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436879
N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide
CID 147142300
6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146627105
4-[6-[[1-(4-ethenylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667787
4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667036
N-[5-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-2-methyl-2-bicyclo[2.2.2]octanyl]prop-2-ynamide
CID 146667821
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134553357
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496805
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496998
4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435413
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-cyclopropyl-4-methylpiperidin-4-yl]acetamide
CID 146667078

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide (CID 146667890) is N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide is CC(=O)NCCNc1ccc(-c2cc(OC3CC(O)C3)cn3ncc(C#N)c23)cn1.
What is the InChIKey of N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is ISSGDWAIEXTRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-13(28)23-4-5-24-20-3-2-14(10-25-20)19-8-18(30-17-6-16(29)7-17)12-27-21(19)15(9-22)11-26-27/h2-3,8,10-12,16-17,29H,4-7H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide?
N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 406.45 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[3-cyano-6-(3-hydroxycyclobutyl)oxypyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 146667890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).