1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol

C21H27F2N7O — CID 177317960

IUPAC1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol
SMILESOC1CN(c2cc(N3CCNCC3)cc(Nc3cnc(C4CC4)cn3)n2)CCC1(F)F
InChIInChI=1S/C21H27F2N7O/c22-21(23)3-6-30(13-17(21)31)20-10-15(29-7-4-24-5-8-29)9-18(28-20)27-19-12-25-16(11-26-19)14-1-2-14/h9-12,14,17,24,31H,1-8,13H2,(H,26,27,28)
InChIKeySRNFGIQIRYJDFA-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.11
Rot. Bonds5

About 1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol

1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol (PubChem CID 177317960) has the molecular formula C21H27F2N7O and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol.

Molecular Properties

Compound Name1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol
PubChem CID177317960
Molecular FormulaC21H27F2N7O
Molecular Weight431.49 g/mol
Exact Mass431.22
IUPAC Name1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol
SMILESOC1CN(c2cc(N3CCNCC3)cc(Nc3cnc(C4CC4)cn3)n2)CCC1(F)F
InChIInChI=1S/C21H27F2N7O/c22-21(23)3-6-30(13-17(21)31)20-10-15(29-7-4-24-5-8-29)9-18(28-20)27-19-12-25-16(11-26-19)14-1-2-14/h9-12,14,17,24,31H,1-8,13H2,(H,26,27,28)
InChIKeySRNFGIQIRYJDFA-UHFFFAOYSA-N
XLogP2.11
TPSA89.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol with MolForge

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Related Compounds

Sra-737
CID 72165232
5-[[5-[(E)-4-hydroxybut-1-enyl]-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613434
Unii-lcr5pkk3H6
CID 72202596
US20230271937, Example A7-25
CID 156511650
US20230271937, Example A7-25-2
CID 168678310
1-(6-(2-Hydroxyethylamino)pyridin-3-yl)-3-((2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl)methyl)urea
CID 71238361
1-[4-[[2-(Trifluoromethyl)pyridin-4-yl]amino]-6-[[6-(trifluoromethyl)pyridin-2-yl]amino]-1,3,5-triazin-2-yl]piperidin-3-ol
CID 160875902
1-[3-({[6-Isopropyl-2-(trifluoromethyl)pyrimidin-4-YL]amino}methyl)pyridin-2-YL]piperidin-3-OL
CID 56741491
(3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 95193370
(2S)-3-piperidin-1-yl-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 124885796
(3S,4S)-4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 164632509
(3S,4S)-4-(pyrimidin-2-ylamino)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 164637247

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol?
The IUPAC name of 1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol (CID 177317960) is 1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol.
What is the SMILES notation for 1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol?
The canonical SMILES for 1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol is OC1CN(c2cc(N3CCNCC3)cc(Nc3cnc(C4CC4)cn3)n2)CCC1(F)F.
What is the InChIKey of 1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol?
The InChIKey is SRNFGIQIRYJDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N7O/c22-21(23)3-6-30(13-17(21)31)20-10-15(29-7-4-24-5-8-29)9-18(28-20)27-19-12-25-16(11-26-19)14-1-2-14/h9-12,14,17,24,31H,1-8,13H2,(H,26,27,28).
What are the key properties of 1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol?
1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol has a molecular weight of 431.49 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol is sourced from PubChem (CID 177317960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).