1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine

C25H25FN6O — CID 162665435

IUPAC1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC3(CCCNC3)C2)n1
InChIInChI=1S/C25H25FN6O/c1-33-21-6-2-5-18(26)24(21)19-11-20-17(12-28-19)13-29-32(20)23-8-3-7-22(30-23)31-15-25(16-31)9-4-10-27-14-25/h2-3,5-8,11-13,27H,4,9-10,14-16H2,1H3
InChIKeyDPFJIGFTZBKSIC-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.82
Rot. Bonds4

About 1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine

1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine (PubChem CID 162665435) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine
PubChem CID162665435
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC3(CCCNC3)C2)n1
InChIInChI=1S/C25H25FN6O/c1-33-21-6-2-5-18(26)24(21)19-11-20-17(12-28-19)13-29-32(20)23-8-3-7-22(30-23)31-15-25(16-31)9-4-10-27-14-25/h2-3,5-8,11-13,27H,4,9-10,14-16H2,1H3
InChIKeyDPFJIGFTZBKSIC-UHFFFAOYSA-N
XLogP3.82
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine (CID 162665435) is 1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine is COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC3(CCCNC3)C2)n1.
What is the InChIKey of 1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine?
The InChIKey is DPFJIGFTZBKSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-33-21-6-2-5-18(26)24(21)19-11-20-17(12-28-19)13-29-32(20)23-8-3-7-22(30-23)31-15-25(16-31)9-4-10-27-14-25/h2-3,5-8,11-13,27H,4,9-10,14-16H2,1H3.
What are the key properties of 1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine?
1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine has a molecular weight of 444.51 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162665435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).