6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile

C29H31N9O — CID 166966759

IUPAC6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2cnc(C4=CC(C5=CCNC5)=CN5NC(C)C(C#N)=C45)cn2)C3)cn1
InChIInChI=1S/C29H31N9O/c1-18-25(9-30)29-24(7-21(15-38(29)35-18)20-5-6-31-11-20)26-12-33-27(13-32-26)36-16-22-8-23(17-36)37(22)14-19-3-4-28(39-2)34-10-19/h3-5,7,10,12-13,15,18,22-23,31,35H,6,8,11,14,16-17H2,1-2H3
InChIKeyMBZXASDMKIHKGG-UHFFFAOYSA-N
MW521.63 g/mol
LogP2.14
Rot. Bonds6

About 6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 166966759) has the molecular formula C29H31N9O and a molecular weight of 521.63 g/mol. Its IUPAC name is 6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID166966759
Molecular FormulaC29H31N9O
Molecular Weight521.63 g/mol
Exact Mass521.27
IUPAC Name6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2cnc(C4=CC(C5=CCNC5)=CN5NC(C)C(C#N)=C45)cn2)C3)cn1
InChIInChI=1S/C29H31N9O/c1-18-25(9-30)29-24(7-21(15-38(29)35-18)20-5-6-31-11-20)26-12-33-27(13-32-26)36-16-22-8-23(17-36)37(22)14-19-3-4-28(39-2)34-10-19/h3-5,7,10,12-13,15,18,22-23,31,35H,6,8,11,14,16-17H2,1-2H3
InChIKeyMBZXASDMKIHKGG-UHFFFAOYSA-N
XLogP2.14
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.63
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile (CID 166966759) is 6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2cnc(C4=CC(C5=CCNC5)=CN5NC(C)C(C#N)=C45)cn2)C3)cn1.
What is the InChIKey of 6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is MBZXASDMKIHKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N9O/c1-18-25(9-30)29-24(7-21(15-38(29)35-18)20-5-6-31-11-20)26-12-33-27(13-32-26)36-16-22-8-23(17-36)37(22)14-19-3-4-28(39-2)34-10-19/h3-5,7,10,12-13,15,18,22-23,31,35H,6,8,11,14,16-17H2,1-2H3.
What are the key properties of 6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 521.63 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-2-methyl-1,2-dihydropyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166966759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).