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

C31H33ClN8O3 — CID 134436624

IUPAC4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ncc(CN2C3CC2CN(c2ccc(-c4cc(OCCN5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cc1Cl
InChIInChI=1S/C31H33ClN8O3/c1-41-31-28(32)10-21(14-35-31)17-39-24-11-25(39)19-38(18-24)29-3-2-22(15-34-29)27-12-26(20-40-30(27)23(13-33)16-36-40)43-9-6-37-4-7-42-8-5-37/h2-3,10,12,14-16,20,24-25H,4-9,11,17-19H2,1H3
InChIKeyGYYIAZADTYTFGX-UHFFFAOYSA-N
MW601.11 g/mol
LogP3.50
Rot. Bonds9

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

4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436624) has the molecular formula C31H33ClN8O3 and a molecular weight of 601.11 g/mol. Its IUPAC name is 4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436624
Molecular FormulaC31H33ClN8O3
Molecular Weight601.11 g/mol
Exact Mass600.24
IUPAC Name4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ncc(CN2C3CC2CN(c2ccc(-c4cc(OCCN5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cc1Cl
InChIInChI=1S/C31H33ClN8O3/c1-41-31-28(32)10-21(14-35-31)17-39-24-11-25(39)19-38(18-24)29-3-2-22(15-34-29)27-12-26(20-40-30(27)23(13-33)16-36-40)43-9-6-37-4-7-42-8-5-37/h2-3,10,12,14-16,20,24-25H,4-9,11,17-19H2,1H3
InChIKeyGYYIAZADTYTFGX-UHFFFAOYSA-N
XLogP3.50
TPSA104.28 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.11
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)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-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436624) is 4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ncc(CN2C3CC2CN(c2ccc(-c4cc(OCCN5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cc1Cl.
What is the InChIKey of 4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GYYIAZADTYTFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN8O3/c1-41-31-28(32)10-21(14-35-31)17-39-24-11-25(39)19-38(18-24)29-3-2-22(15-34-29)27-12-26(20-40-30(27)23(13-33)16-36-40)43-9-6-37-4-7-42-8-5-37/h2-3,10,12,14-16,20,24-25H,4-9,11,17-19H2,1H3.
What are the key properties of 4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 601.11 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).