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

C30H32N8O3 — CID 134436845

IUPAC4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OC[C@@H]5CNCCO5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H32N8O3/c1-39-29-5-2-20(11-34-29)15-37-23-8-24(37)17-36(16-23)28-4-3-21(12-33-28)27-9-25(41-19-26-14-32-6-7-40-26)18-38-30(27)22(10-31)13-35-38/h2-5,9,11-13,18,23-24,26,32H,6-8,14-17,19H2,1H3/t23?,24?,26-/m0/s1
InChIKeyGHVPABBEIJWMIH-RSMFLLDRSA-N
MW552.64 g/mol
LogP2.50
Rot. Bonds8

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

4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436845) has the molecular formula C30H32N8O3 and a molecular weight of 552.64 g/mol. Its IUPAC name is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436845
Molecular FormulaC30H32N8O3
Molecular Weight552.64 g/mol
Exact Mass552.26
IUPAC Name4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OC[C@@H]5CNCCO5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H32N8O3/c1-39-29-5-2-20(11-34-29)15-37-23-8-24(37)17-36(16-23)28-4-3-21(12-33-28)27-9-25(41-19-26-14-32-6-7-40-26)18-38-30(27)22(10-31)13-35-38/h2-5,9,11-13,18,23-24,26,32H,6-8,14-17,19H2,1H3/t23?,24?,26-/m0/s1
InChIKeyGHVPABBEIJWMIH-RSMFLLDRSA-N
XLogP2.50
TPSA113.07 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-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 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436845) is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OC[C@@H]5CNCCO5)cn5ncc(C#N)c45)cn2)C3)cn1.
What is the InChIKey of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GHVPABBEIJWMIH-RSMFLLDRSA-N. The full InChI is InChI=1S/C30H32N8O3/c1-39-29-5-2-20(11-34-29)15-37-23-8-24(37)17-36(16-23)28-4-3-21(12-33-28)27-9-25(41-19-26-14-32-6-7-40-26)18-38-30(27)22(10-31)13-35-38/h2-5,9,11-13,18,23-24,26,32H,6-8,14-17,19H2,1H3/t23?,24?,26-/m0/s1.
What are the key properties of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 552.64 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[[(2S)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).