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

C19H24F2N6O — CID 167500098

IUPACN-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(Nc2cc(CN3CCOCC3)cc(N3CCC(F)(F)C3)n2)cn1
InChIInChI=1S/C19H24F2N6O/c1-14-10-23-17(11-22-14)24-16-8-15(12-26-4-6-28-7-5-26)9-18(25-16)27-3-2-19(20,21)13-27/h8-11H,2-7,12-13H2,1H3,(H,23,24,25)
InChIKeyLFQVEVGRNHSUDT-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.60
Rot. Bonds5

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

N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine (PubChem CID 167500098) has the molecular formula C19H24F2N6O and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine
PubChem CID167500098
Molecular FormulaC19H24F2N6O
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC NameN-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(Nc2cc(CN3CCOCC3)cc(N3CCC(F)(F)C3)n2)cn1
InChIInChI=1S/C19H24F2N6O/c1-14-10-23-17(11-22-14)24-16-8-15(12-26-4-6-28-7-5-26)9-18(25-16)27-3-2-19(20,21)13-27/h8-11H,2-7,12-13H2,1H3,(H,23,24,25)
InChIKeyLFQVEVGRNHSUDT-UHFFFAOYSA-N
XLogP2.60
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.60
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-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine?
The IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine (CID 167500098) is N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine.
What is the SMILES notation for N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine?
The canonical SMILES for N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine is Cc1cnc(Nc2cc(CN3CCOCC3)cc(N3CCC(F)(F)C3)n2)cn1.
What is the InChIKey of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine?
The InChIKey is LFQVEVGRNHSUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6O/c1-14-10-23-17(11-22-14)24-16-8-15(12-26-4-6-28-7-5-26)9-18(25-16)27-3-2-19(20,21)13-27/h8-11H,2-7,12-13H2,1H3,(H,23,24,25).
What are the key properties of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine?
N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine has a molecular weight of 390.44 g/mol, XLogP of 2.60, 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-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine is sourced from PubChem (CID 167500098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).