2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H30FN9O3 — CID 146528426

IUPAC2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2cnc(-c4cc(OC[C@@H]5CNCCO5)cn5nc(F)c(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C29H30FN9O3/c1-40-27-3-2-18(9-35-27)13-38-19-6-20(38)15-37(14-19)26-12-33-25(11-34-26)23-7-21(42-17-22-10-32-4-5-41-22)16-39-28(23)24(8-31)29(30)36-39/h2-3,7,9,11-12,16,19-20,22,32H,4-6,10,13-15,17H2,1H3/t19?,20?,22-/m0/s1
InChIKeyRDOILFHCOGJZDJ-AOMIVXANSA-N
MW571.62 g/mol
LogP2.04
Rot. Bonds8

About 2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146528426) has the molecular formula C29H30FN9O3 and a molecular weight of 571.62 g/mol. Its IUPAC name is 2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146528426
Molecular FormulaC29H30FN9O3
Molecular Weight571.62 g/mol
Exact Mass571.25
IUPAC Name2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2cnc(-c4cc(OC[C@@H]5CNCCO5)cn5nc(F)c(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C29H30FN9O3/c1-40-27-3-2-18(9-35-27)13-38-19-6-20(38)15-37(14-19)26-12-33-25(11-34-26)23-7-21(42-17-22-10-32-4-5-41-22)16-39-28(23)24(8-31)29(30)36-39/h2-3,7,9,11-12,16,19-20,22,32H,4-6,10,13-15,17H2,1H3/t19?,20?,22-/m0/s1
InChIKeyRDOILFHCOGJZDJ-AOMIVXANSA-N
XLogP2.04
TPSA125.96 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.62
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146528426) is 2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(OC[C@@H]5CNCCO5)cn5nc(F)c(C#N)c45)cn2)C3)cn1.
What is the InChIKey of 2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is RDOILFHCOGJZDJ-AOMIVXANSA-N. The full InChI is InChI=1S/C29H30FN9O3/c1-40-27-3-2-18(9-35-27)13-38-19-6-20(38)15-37(14-19)26-12-33-25(11-34-26)23-7-21(42-17-22-10-32-4-5-41-22)16-39-28(23)24(8-31)29(30)36-39/h2-3,7,9,11-12,16,19-20,22,32H,4-6,10,13-15,17H2,1H3/t19?,20?,22-/m0/s1.
What are the key properties of 2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 571.62 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146528426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).