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

C21H26F2N6O — CID 177317906

IUPAC1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2cc(Nc3cnc(C4CC4)cn3)nc(N3CCC(F)(F)C3)c2)C1
InChIInChI=1S/C21H26F2N6O/c22-21(23)5-7-29(13-21)20-9-15(28-6-1-2-16(30)12-28)8-18(27-20)26-19-11-24-17(10-25-19)14-3-4-14/h8-11,14,16,30H,1-7,12-13H2,(H,25,26,27)
InChIKeyBICDLTNNYHEPGV-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.30
Rot. Bonds5

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

1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol (PubChem CID 177317906) has the molecular formula C21H26F2N6O and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol
PubChem CID177317906
Molecular FormulaC21H26F2N6O
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC Name1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2cc(Nc3cnc(C4CC4)cn3)nc(N3CCC(F)(F)C3)c2)C1
InChIInChI=1S/C21H26F2N6O/c22-21(23)5-7-29(13-21)20-9-15(28-6-1-2-16(30)12-28)8-18(27-20)26-19-11-24-17(10-25-19)14-3-4-14/h8-11,14,16,30H,1-7,12-13H2,(H,25,26,27)
InChIKeyBICDLTNNYHEPGV-UHFFFAOYSA-N
XLogP3.30
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Sra-737
CID 72165232
2-(4-(6-(Pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-yl)piperazin-1-yl)ethanol
CID 46216813
1-(Dimethylamino)-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propan-2-ol
CID 90654805
Unii-lcr5pkk3H6
CID 72202596
US9758538, Example 67
CID 124194958
(3R,5S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3,5-diol
CID 139344460
(3S,5S)-5-amino-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 139344839
US11560366, Example 12
CID 156274442
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
US9758538, Example 71
CID 124194523
4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 153401706
N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine
CID 167499965

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol (CID 177317906) is 1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol is OC1CCCN(c2cc(Nc3cnc(C4CC4)cn3)nc(N3CCC(F)(F)C3)c2)C1.
What is the InChIKey of 1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol?
The InChIKey is BICDLTNNYHEPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N6O/c22-21(23)5-7-29(13-21)20-9-15(28-6-1-2-16(30)12-28)8-18(27-20)26-19-11-24-17(10-25-19)14-3-4-14/h8-11,14,16,30H,1-7,12-13H2,(H,25,26,27).
What are the key properties of 1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol?
1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol has a molecular weight of 416.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 177317906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).