6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile

C23H25FN6O — CID 156723962

IUPAC6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CC2CN(C(=O)CNC3(c4ccc(F)cn4)CC3)CC1N2c1ccc(C#N)cn1
InChIInChI=1S/C23H25FN6O/c1-15-8-18-13-29(14-19(15)30(18)21-5-2-16(9-25)10-27-21)22(31)12-28-23(6-7-23)20-4-3-17(24)11-26-20/h2-5,10-11,15,18-19,28H,6-8,12-14H2,1H3/t15-,18?,19?/m1/s1
InChIKeyYKQZZXYYVCFSJO-VNCLNFNDSA-N
MW420.49 g/mol
LogP2.19
Rot. Bonds5

About 6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile

6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile (PubChem CID 156723962) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
PubChem CID156723962
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CC2CN(C(=O)CNC3(c4ccc(F)cn4)CC3)CC1N2c1ccc(C#N)cn1
InChIInChI=1S/C23H25FN6O/c1-15-8-18-13-29(14-19(15)30(18)21-5-2-16(9-25)10-27-21)22(31)12-28-23(6-7-23)20-4-3-17(24)11-26-20/h2-5,10-11,15,18-19,28H,6-8,12-14H2,1H3/t15-,18?,19?/m1/s1
InChIKeyYKQZZXYYVCFSJO-VNCLNFNDSA-N
XLogP2.19
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile (CID 156723962) is 6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile is C[C@@H]1CC2CN(C(=O)CNC3(c4ccc(F)cn4)CC3)CC1N2c1ccc(C#N)cn1.
What is the InChIKey of 6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?
The InChIKey is YKQZZXYYVCFSJO-VNCLNFNDSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-15-8-18-13-29(14-19(15)30(18)21-5-2-16(9-25)10-27-21)22(31)12-28-23(6-7-23)20-4-3-17(24)11-26-20/h2-5,10-11,15,18-19,28H,6-8,12-14H2,1H3/t15-,18?,19?/m1/s1.
What are the key properties of 6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?
6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile has a molecular weight of 420.49 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6R)-3-[2-[[1-(5-fluoro-2-pyridinyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 156723962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).