3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C20H26ClN5O — CID 90286686

IUPAC3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(Cl)c2)cc1C1C2CC1CN(C1COC1)C2
InChIInChI=1S/C20H26ClN5O/c1-11(2)26-18(5-17(24-26)12-4-16(21)20(22)23-6-12)19-13-3-14(19)8-25(7-13)15-9-27-10-15/h4-6,11,13-15,19H,3,7-10H2,1-2H3,(H2,22,23)
InChIKeyZLWLZHGCWWYAHN-UHFFFAOYSA-N
MW387.92 g/mol
LogP3.20
Rot. Bonds4

About 3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 90286686) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is 3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID90286686
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(Cl)c2)cc1C1C2CC1CN(C1COC1)C2
InChIInChI=1S/C20H26ClN5O/c1-11(2)26-18(5-17(24-26)12-4-16(21)20(22)23-6-12)19-13-3-14(19)8-25(7-13)15-9-27-10-15/h4-6,11,13-15,19H,3,7-10H2,1-2H3,(H2,22,23)
InChIKeyZLWLZHGCWWYAHN-UHFFFAOYSA-N
XLogP3.20
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 90286686) is 3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(Cl)c2)cc1C1C2CC1CN(C1COC1)C2.
What is the InChIKey of 3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is ZLWLZHGCWWYAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-11(2)26-18(5-17(24-26)12-4-16(21)20(22)23-6-12)19-13-3-14(19)8-25(7-13)15-9-27-10-15/h4-6,11,13-15,19H,3,7-10H2,1-2H3,(H2,22,23).
What are the key properties of 3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 387.92 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 90286686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).