6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]

C17H16ClN3O — CID 170640609

IUPAC6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]
SMILESClc1cc2c(cn1)C1(CC1)CN2c1cccc(C2COC2)n1
InChIInChI=1S/C17H16ClN3O/c18-15-6-14-12(7-19-15)17(4-5-17)10-21(14)16-3-1-2-13(20-16)11-8-22-9-11/h1-3,6-7,11H,4-5,8-10H2
InChIKeyLWQHVSOJMUVQAC-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.43
Rot. Bonds2

About 6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]

6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane] (PubChem CID 170640609) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane].

Molecular Properties

Compound Name6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]
PubChem CID170640609
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]
SMILESClc1cc2c(cn1)C1(CC1)CN2c1cccc(C2COC2)n1
InChIInChI=1S/C17H16ClN3O/c18-15-6-14-12(7-19-15)17(4-5-17)10-21(14)16-3-1-2-13(20-16)11-8-22-9-11/h1-3,6-7,11H,4-5,8-10H2
InChIKeyLWQHVSOJMUVQAC-UHFFFAOYSA-N
XLogP3.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]?
The IUPAC name of 6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane] (CID 170640609) is 6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane].
What is the SMILES notation for 6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]?
The canonical SMILES for 6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane] is Clc1cc2c(cn1)C1(CC1)CN2c1cccc(C2COC2)n1.
What is the InChIKey of 6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]?
The InChIKey is LWQHVSOJMUVQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-15-6-14-12(7-19-15)17(4-5-17)10-21(14)16-3-1-2-13(20-16)11-8-22-9-11/h1-3,6-7,11H,4-5,8-10H2.
What are the key properties of 6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]?
6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane] has a molecular weight of 313.79 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane] is sourced from PubChem (CID 170640609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).