6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

C25H30FN7O — CID 151370822

IUPAC6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCN1CC2(C1)CN(c1ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c1F)C2
InChIInChI=1S/C25H30FN7O/c1-5-6-31-10-25(11-31)12-32(13-25)24-21(26)20-17(8-27-24)30-22(19(20)15(2)3)16-7-18(34-4)23-28-14-29-33(23)9-16/h7-9,14-15,30H,5-6,10-13H2,1-4H3
InChIKeyOQKBWRFKNVOQRD-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.08
Rot. Bonds6

About 6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 151370822) has the molecular formula C25H30FN7O and a molecular weight of 463.56 g/mol. Its IUPAC name is 6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID151370822
Molecular FormulaC25H30FN7O
Molecular Weight463.56 g/mol
Exact Mass463.25
IUPAC Name6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCN1CC2(C1)CN(c1ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c1F)C2
InChIInChI=1S/C25H30FN7O/c1-5-6-31-10-25(11-31)12-32(13-25)24-21(26)20-17(8-27-24)30-22(19(20)15(2)3)16-7-18(34-4)23-28-14-29-33(23)9-16/h7-9,14-15,30H,5-6,10-13H2,1-4H3
InChIKeyOQKBWRFKNVOQRD-UHFFFAOYSA-N
XLogP4.08
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 151370822) is 6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is CCCN1CC2(C1)CN(c1ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c1F)C2.
What is the InChIKey of 6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is OQKBWRFKNVOQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O/c1-5-6-31-10-25(11-31)12-32(13-25)24-21(26)20-17(8-27-24)30-22(19(20)15(2)3)16-7-18(34-4)23-28-14-29-33(23)9-16/h7-9,14-15,30H,5-6,10-13H2,1-4H3.
What are the key properties of 6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 463.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 151370822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).