N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine

C22H28F2N6O — CID 167499965

IUPACN-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)cn1
InChIInChI=1S/C22H28F2N6O/c1-15-10-26-20(11-25-15)27-19-8-17(9-21(28-19)30-7-4-22(23,24)14-30)16-2-5-29(6-3-16)18-12-31-13-18/h8-11,16,18H,2-7,12-14H2,1H3,(H,26,27,28)
InChIKeyYWYWIKNWTYQHSF-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.35
Rot. Bonds5

About N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine

N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine (PubChem CID 167499965) has the molecular formula C22H28F2N6O and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine
PubChem CID167499965
Molecular FormulaC22H28F2N6O
Molecular Weight430.50 g/mol
Exact Mass430.23
IUPAC NameN-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)cn1
InChIInChI=1S/C22H28F2N6O/c1-15-10-26-20(11-25-15)27-19-8-17(9-21(28-19)30-7-4-22(23,24)14-30)16-2-5-29(6-3-16)18-12-31-13-18/h8-11,16,18H,2-7,12-14H2,1H3,(H,26,27,28)
InChIKeyYWYWIKNWTYQHSF-UHFFFAOYSA-N
XLogP3.35
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine?
The IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine (CID 167499965) is N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine.
What is the SMILES notation for N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine?
The canonical SMILES for N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine is Cc1cnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)cn1.
What is the InChIKey of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine?
The InChIKey is YWYWIKNWTYQHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N6O/c1-15-10-26-20(11-25-15)27-19-8-17(9-21(28-19)30-7-4-22(23,24)14-30)16-2-5-29(6-3-16)18-12-31-13-18/h8-11,16,18H,2-7,12-14H2,1H3,(H,26,27,28).
What are the key properties of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine?
N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine has a molecular weight of 430.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine is sourced from PubChem (CID 167499965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).