3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine

C17H22N6O — CID 155562763

IUPAC3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCCc1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)n(C)n1
InChIInChI=1S/C17H22N6O/c1-3-11-10-14(23(2)22-11)16-15-13(20-21-16)4-7-18-17(15)19-12-5-8-24-9-6-12/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIBRNHZVIHONHSU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds4

About 3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine

3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 155562763) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID155562763
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCCc1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)n(C)n1
InChIInChI=1S/C17H22N6O/c1-3-11-10-14(23(2)22-11)16-15-13(20-21-16)4-7-18-17(15)19-12-5-8-24-9-6-12/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIBRNHZVIHONHSU-UHFFFAOYSA-N
XLogP2.51
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine with MolForge

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Related Compounds

Elimusertib
CID 118869362
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 10111591
4-Ethyl-6-[5-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]pyrimidin-2-Amine
CID 25165773
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1-(Propan-2-Yl)-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 86278566
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 86278567
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-3h-Imidazo[4,5-C]pyridin-6-Amine
CID 86278568
US20230339900, Example 20
CID 162761031
(S)-1-(6-(3-methylpiperazin-1-yl)pyridin-2-yl)-6-(5-(oxetan-3-yl)pyridin-3-yl)-1H-pyrazolo[4,3-c]pyridine
CID 72715135
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
N-(oxan-4-yl)-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine
CID 46899554

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (CID 155562763) is 3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is CCc1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)n(C)n1.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is IBRNHZVIHONHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-3-11-10-14(23(2)22-11)16-15-13(20-21-16)4-7-18-17(15)19-12-5-8-24-9-6-12/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylpyrazol-5-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 155562763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).