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

C23H30F2N6 — CID 167499981

IUPACN-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(Nc2cc(C3CCN(CC4CC4)CC3)cc(N3CCC(F)(F)C3)n2)cn1
InChIInChI=1S/C23H30F2N6/c1-16-12-27-21(13-26-16)28-20-10-19(11-22(29-20)31-9-6-23(24,25)15-31)18-4-7-30(8-5-18)14-17-2-3-17/h10-13,17-18H,2-9,14-15H2,1H3,(H,27,28,29)
InChIKeyWLCGZUITPCUAHT-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.36
Rot. Bonds6

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

N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine (PubChem CID 167499981) has the molecular formula C23H30F2N6 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
PubChem CID167499981
Molecular FormulaC23H30F2N6
Molecular Weight428.53 g/mol
Exact Mass428.25
IUPAC NameN-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(Nc2cc(C3CCN(CC4CC4)CC3)cc(N3CCC(F)(F)C3)n2)cn1
InChIInChI=1S/C23H30F2N6/c1-16-12-27-21(13-26-16)28-20-10-19(11-22(29-20)31-9-6-23(24,25)15-31)18-4-7-30(8-5-18)14-17-2-3-17/h10-13,17-18H,2-9,14-15H2,1H3,(H,27,28,29)
InChIKeyWLCGZUITPCUAHT-UHFFFAOYSA-N
XLogP4.36
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine?
The IUPAC name of N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine (CID 167499981) is N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine.
What is the SMILES notation for N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine?
The canonical SMILES for N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine is Cc1cnc(Nc2cc(C3CCN(CC4CC4)CC3)cc(N3CCC(F)(F)C3)n2)cn1.
What is the InChIKey of N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine?
The InChIKey is WLCGZUITPCUAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N6/c1-16-12-27-21(13-26-16)28-20-10-19(11-22(29-20)31-9-6-23(24,25)15-31)18-4-7-30(8-5-18)14-17-2-3-17/h10-13,17-18H,2-9,14-15H2,1H3,(H,27,28,29).
What are the key properties of N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine?
N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine has a molecular weight of 428.53 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine is sourced from PubChem (CID 167499981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).