oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone

C21H25N5O2 — CID 123322953

IUPACoxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone
SMILESCC(C)Nc1nccc2[nH]nc(-c3cc(C(=O)C4CCCOCC4)ccn3)c12
InChIInChI=1S/C21H25N5O2/c1-13(2)24-21-18-16(6-9-23-21)25-26-19(18)17-12-15(5-8-22-17)20(27)14-4-3-10-28-11-7-14/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyXZVZTARFJPTLRE-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.84
Rot. Bonds5

About oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone

oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone (PubChem CID 123322953) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone.

Molecular Properties

Compound Nameoxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone
PubChem CID123322953
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Nameoxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone
SMILESCC(C)Nc1nccc2[nH]nc(-c3cc(C(=O)C4CCCOCC4)ccn3)c12
InChIInChI=1S/C21H25N5O2/c1-13(2)24-21-18-16(6-9-23-21)25-26-19(18)17-12-15(5-8-22-17)20(27)14-4-3-10-28-11-7-14/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyXZVZTARFJPTLRE-UHFFFAOYSA-N
XLogP3.84
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone with MolForge

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Related Compounds

3-[4-(oxolan-2-yl)-2-pyridinyl]-N-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71737543
3-(6-methyl-2-pyridinyl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71736932
N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 66828941
N-[3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide
CID 66829113
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
(3-bromophenyl)-(oxan-4-yl)methanone
CID 63934842
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
(3-methylsulfonylphenyl)-(oxan-4-yl)methanone
CID 114971826
(3,5-difluorophenyl)-(oxan-4-yl)methanone
CID 63936069
[2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone
CID 116601749
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252

Frequently Asked Questions

What is the IUPAC name of oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone?
The IUPAC name of oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone (CID 123322953) is oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone.
What is the SMILES notation for oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone?
The canonical SMILES for oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone is CC(C)Nc1nccc2[nH]nc(-c3cc(C(=O)C4CCCOCC4)ccn3)c12.
What is the InChIKey of oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone?
The InChIKey is XZVZTARFJPTLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13(2)24-21-18-16(6-9-23-21)25-26-19(18)17-12-15(5-8-22-17)20(27)14-4-3-10-28-11-7-14/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone?
oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxepan-4-yl-[2-[4-(propan-2-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]methanone is sourced from PubChem (CID 123322953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).