1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol

C18H20ClN5O — CID 90289017

IUPAC1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H20ClN5O/c19-18-4-3-16-17(22-18)7-13(8-20-16)14-9-21-24(10-14)12-15(25)11-23-5-1-2-6-23/h3-4,7-10,15,25H,1-2,5-6,11-12H2
InChIKeyARAGKECBGALILU-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol

1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 90289017) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID90289017
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H20ClN5O/c19-18-4-3-16-17(22-18)7-13(8-20-16)14-9-21-24(10-14)12-15(25)11-23-5-1-2-6-23/h3-4,7-10,15,25H,1-2,5-6,11-12H2
InChIKeyARAGKECBGALILU-UHFFFAOYSA-N
XLogP2.60
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (CID 90289017) is 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is OC(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is ARAGKECBGALILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c19-18-4-3-16-17(22-18)7-13(8-20-16)14-9-21-24(10-14)12-15(25)11-23-5-1-2-6-23/h3-4,7-10,15,25H,1-2,5-6,11-12H2.
What are the key properties of 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 357.85 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 90289017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).