5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine

C22H28FN7 — CID 177318061

IUPAC5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine
SMILESFC1CCCN(c2cc(N3CC4CC3CN4)cc(Nc3cnc(C4CC4)cn3)n2)C1
InChIInChI=1S/C22H28FN7/c23-15-2-1-5-29(12-15)22-8-17(30-13-16-6-18(30)9-24-16)7-20(28-22)27-21-11-25-19(10-26-21)14-3-4-14/h7-8,10-11,14-16,18,24H,1-6,9,12-13H2,(H,26,27,28)
InChIKeyBJCAPKUYSYBEAC-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.98
Rot. Bonds5

About 5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine

5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine (PubChem CID 177318061) has the molecular formula C22H28FN7 and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine
PubChem CID177318061
Molecular FormulaC22H28FN7
Molecular Weight409.51 g/mol
Exact Mass409.24
IUPAC Name5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine
SMILESFC1CCCN(c2cc(N3CC4CC3CN4)cc(Nc3cnc(C4CC4)cn3)n2)C1
InChIInChI=1S/C22H28FN7/c23-15-2-1-5-29(12-15)22-8-17(30-13-16-6-18(30)9-24-16)7-20(28-22)27-21-11-25-19(10-26-21)14-3-4-14/h7-8,10-11,14-16,18,24H,1-6,9,12-13H2,(H,26,27,28)
InChIKeyBJCAPKUYSYBEAC-UHFFFAOYSA-N
XLogP2.98
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]piperidin-3-ol
CID 177317955
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol
CID 177317957
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704
5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124945589
1-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[5-[2-[2-[6-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperazin-1-yl-2-pyridinyl]amino]-4-(trifluoromethyl)-3-pyridinyl]cyclopropyl]cyclopropyl]pyrazin-2-yl]amino]-4-pyridinyl]piperidin-3-ol
CID 177318067
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol
CID 177317932
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
(1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 176737207
(3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol
CID 177318071
(1R,4R)-2-(5-iodo-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 70162570
(1S,4S)-2-(5-bromo-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 12016225
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol
CID 177317959

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of 5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine (CID 177318061) is 5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine is FC1CCCN(c2cc(N3CC4CC3CN4)cc(Nc3cnc(C4CC4)cn3)n2)C1.
What is the InChIKey of 5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine?
The InChIKey is BJCAPKUYSYBEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN7/c23-15-2-1-5-29(12-15)22-8-17(30-13-16-6-18(30)9-24-16)7-20(28-22)27-21-11-25-19(10-26-21)14-3-4-14/h7-8,10-11,14-16,18,24H,1-6,9,12-13H2,(H,26,27,28).
What are the key properties of 5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine?
5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine has a molecular weight of 409.51 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-(3-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 177318061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).