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

C30H31N9O2 — CID 155181063

IUPAC4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methyl-3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCN(C)C(=O)C5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H31N9O2/c1-35-7-8-36(19-29(35)40)23-10-26(30-22(11-31)14-34-39(30)18-23)21-4-5-27(32-13-21)37-16-24-9-25(17-37)38(24)15-20-3-6-28(41-2)33-12-20/h3-6,10,12-14,18,24-25H,7-9,15-17,19H2,1-2H3
InChIKeyGQOCBCGJBHCFFD-UHFFFAOYSA-N
MW549.64 g/mol
LogP2.41
Rot. Bonds6

About 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methyl-3-oxopiperazin-1-yl)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-(4-methyl-3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155181063) has the molecular formula C30H31N9O2 and a molecular weight of 549.64 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-(4-methyl-3-oxopiperazin-1-yl)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-(4-methyl-3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155181063
Molecular FormulaC30H31N9O2
Molecular Weight549.64 g/mol
Exact Mass549.26
IUPAC Name4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methyl-3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCN(C)C(=O)C5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H31N9O2/c1-35-7-8-36(19-29(35)40)23-10-26(30-22(11-31)14-34-39(30)18-23)21-4-5-27(32-13-21)37-16-24-9-25(17-37)38(24)15-20-3-6-28(41-2)33-12-20/h3-6,10,12-14,18,24-25H,7-9,15-17,19H2,1-2H3
InChIKeyGQOCBCGJBHCFFD-UHFFFAOYSA-N
XLogP2.41
TPSA106.13 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.64
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methyl-3-oxopiperazin-1-yl)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-(4-methyl-3-oxopiperazin-1-yl)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-(4-methyl-3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155181063) is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(4-methyl-3-oxopiperazin-1-yl)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-(4-methyl-3-oxopiperazin-1-yl)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-(4-methyl-3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCN(C)C(=O)C5)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-(4-methyl-3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GQOCBCGJBHCFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N9O2/c1-35-7-8-36(19-29(35)40)23-10-26(30-22(11-31)14-34-39(30)18-23)21-4-5-27(32-13-21)37-16-24-9-25(17-37)38(24)15-20-3-6-28(41-2)33-12-20/h3-6,10,12-14,18,24-25H,7-9,15-17,19H2,1-2H3.
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-(4-methyl-3-oxopiperazin-1-yl)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-(4-methyl-3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 549.64 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 10 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-(4-methyl-3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155181063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).