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

C22H30F2N6 — CID 167500088

IUPACN-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(Nc2cc(C3CCN(C(C)C)CC3)cc(N3CCC(F)(F)C3)n2)cn1
InChIInChI=1S/C22H30F2N6/c1-15(2)29-7-4-17(5-8-29)18-10-19(27-20-13-25-16(3)12-26-20)28-21(11-18)30-9-6-22(23,24)14-30/h10-13,15,17H,4-9,14H2,1-3H3,(H,26,27,28)
InChIKeyUFKLFYGNKYPEHJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.36
Rot. Bonds5

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

N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine (PubChem CID 167500088) has the molecular formula C22H30F2N6 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
PubChem CID167500088
Molecular FormulaC22H30F2N6
Molecular Weight416.52 g/mol
Exact Mass416.25
IUPAC NameN-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(Nc2cc(C3CCN(C(C)C)CC3)cc(N3CCC(F)(F)C3)n2)cn1
InChIInChI=1S/C22H30F2N6/c1-15(2)29-7-4-17(5-8-29)18-10-19(27-20-13-25-16(3)12-26-20)28-21(11-18)30-9-6-22(23,24)14-30/h10-13,15,17H,4-9,14H2,1-3H3,(H,26,27,28)
InChIKeyUFKLFYGNKYPEHJ-UHFFFAOYSA-N
XLogP4.36
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
CID 167500011
N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
CID 167499981
1-[3-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(5-methylpyrazin-2-yl)amino]-4-pyridinyl]azetidin-1-yl]ethanone
CID 175680079
N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine
CID 176612063
5-[3-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(5-methylpyrazin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171717484
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 162747716
(Z)-1-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(4-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]octadec-9-en-1-one
CID 126706050
4-[4-[2-[(4-cyano-2-pyridinyl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-1-yl]-4-oxobutanoic acid
CID 162747627
1-[4-[2-amino-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone
CID 167499994
6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-5-methyl-2-pyridinyl)-4-piperazin-1-ylpyridin-2-amine
CID 177317974
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
6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine
CID 177318004

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine?
The IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine (CID 167500088) is N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine.
What is the SMILES notation for N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine?
The canonical SMILES for N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine is Cc1cnc(Nc2cc(C3CCN(C(C)C)CC3)cc(N3CCC(F)(F)C3)n2)cn1.
What is the InChIKey of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine?
The InChIKey is UFKLFYGNKYPEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N6/c1-15(2)29-7-4-17(5-8-29)18-10-19(27-20-13-25-16(3)12-26-20)28-21(11-18)30-9-6-22(23,24)14-30/h10-13,15,17H,4-9,14H2,1-3H3,(H,26,27,28).
What are the key properties of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine?
N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine has a molecular weight of 416.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine is sourced from PubChem (CID 167500088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).