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

C17H21F2N5 — CID 176612063

IUPACN-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(Nc2cc(C(C)C)cc(N3CCC(F)(F)C3)n2)cn1
InChIInChI=1S/C17H21F2N5/c1-11(2)13-6-14(22-15-9-20-12(3)8-21-15)23-16(7-13)24-5-4-17(18,19)10-24/h6-9,11H,4-5,10H2,1-3H3,(H,21,22,23)
InChIKeyDDRNPKHEXKTRFA-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.89
Rot. Bonds4

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

N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine (PubChem CID 176612063) has the molecular formula C17H21F2N5 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine
PubChem CID176612063
Molecular FormulaC17H21F2N5
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine
SMILESCc1cnc(Nc2cc(C(C)C)cc(N3CCC(F)(F)C3)n2)cn1
InChIInChI=1S/C17H21F2N5/c1-11(2)13-6-14(22-15-9-20-12(3)8-21-15)23-16(7-13)24-5-4-17(18,19)10-24/h6-9,11H,4-5,10H2,1-3H3,(H,21,22,23)
InChIKeyDDRNPKHEXKTRFA-UHFFFAOYSA-N
XLogP3.89
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
CID 167500088
1-[3-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(5-methylpyrazin-2-yl)amino]-4-pyridinyl]azetidin-1-yl]ethanone
CID 175680079
N-[4-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
CID 167499981
6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-5-methyl-2-pyridinyl)-4-piperazin-1-ylpyridin-2-amine
CID 177317974
6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine
CID 177318004
4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine
CID 131093374
5-[4-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(5-methylpyrazin-2-yl)amino]-4-pyridinyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171717487
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
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-[4-(methyliminomethyl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 154012581
4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine
CID 175640130

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine?
The IUPAC name of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine (CID 176612063) is N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine.
What is the SMILES notation for N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine?
The canonical SMILES for N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine is Cc1cnc(Nc2cc(C(C)C)cc(N3CCC(F)(F)C3)n2)cn1.
What is the InChIKey of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine?
The InChIKey is DDRNPKHEXKTRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5/c1-11(2)13-6-14(22-15-9-20-12(3)8-21-15)23-16(7-13)24-5-4-17(18,19)10-24/h6-9,11H,4-5,10H2,1-3H3,(H,21,22,23).
What are the key properties of N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine?
N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine has a molecular weight of 333.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine is sourced from PubChem (CID 176612063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).