2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile

C25H28F2N6O — CID 90067590

IUPAC2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CC4(CCC4(F)F)C3)n2)c1
InChIInChI=1S/C25H28F2N6O/c26-25(27)5-4-24(25)15-33(16-24)23-11-19(18-2-7-32(8-3-18)20-13-34-14-20)10-22(31-23)30-21-9-17(12-28)1-6-29-21/h1,6,9-11,18,20H,2-5,7-8,13-16H2,(H,29,30,31)
InChIKeyCVRQLCPEFVRNNV-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.91
Rot. Bonds5

About 2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile

2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile (PubChem CID 90067590) has the molecular formula C25H28F2N6O and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
PubChem CID90067590
Molecular FormulaC25H28F2N6O
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CC4(CCC4(F)F)C3)n2)c1
InChIInChI=1S/C25H28F2N6O/c26-25(27)5-4-24(25)15-33(16-24)23-11-19(18-2-7-32(8-3-18)20-13-34-14-20)10-22(31-23)30-21-9-17(12-28)1-6-29-21/h1,6,9-11,18,20H,2-5,7-8,13-16H2,(H,29,30,31)
InChIKeyCVRQLCPEFVRNNV-UHFFFAOYSA-N
XLogP3.91
TPSA77.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[[6-cyclobutyloxy-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 118725473
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 162747716
4-[4-[2-[(4-cyano-2-pyridinyl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-1-yl]-4-oxobutanoic acid
CID 162747627
N-[4-(1,1-difluoroethyl)-2-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)azetidin-3-yl]pyridin-2-amine
CID 163555024
4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90067501
2-[[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]amino]pyridine-4-carbonitrile
CID 122368046
2-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-2-pyridinyl]pyridine-2,4-diamine
CID 90067642
N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
CID 90067480
2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile
CID 129021795
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridine
CID 90015405
2-[[4-(1-methylsulfanylpiperidin-4-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 134293686
2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride
CID 86694846

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile (CID 90067590) is 2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CC4(CCC4(F)F)C3)n2)c1.
What is the InChIKey of 2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
The InChIKey is CVRQLCPEFVRNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6O/c26-25(27)5-4-24(25)15-33(16-24)23-11-19(18-2-7-32(8-3-18)20-13-34-14-20)10-22(31-23)30-21-9-17(12-28)1-6-29-21/h1,6,9-11,18,20H,2-5,7-8,13-16H2,(H,29,30,31).
What are the key properties of 2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile?
2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile has a molecular weight of 466.54 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 90067590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).