(1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C27H28F2N8 — CID 155774315

IUPAC(1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3[nH]nc(N4CCCc5ncccc54)c3nc1C(F)F)CC2
InChIInChI=1S/C27H28F2N8/c28-23(29)20-25(36-13-9-27(10-14-36)15-16-5-1-2-6-17(16)22(27)30)33-24-21(32-20)26(35-34-24)37-12-4-7-18-19(37)8-3-11-31-18/h1-3,5-6,8,11,22-23H,4,7,9-10,12-15,30H2,(H,33,34,35)/t22-/m1/s1
InChIKeyFRQPHZNFYNVDNR-JOCHJYFZSA-N
MW502.57 g/mol
LogP4.61
Rot. Bonds3

About (1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155774315) has the molecular formula C27H28F2N8 and a molecular weight of 502.57 g/mol. Its IUPAC name is (1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155774315
Molecular FormulaC27H28F2N8
Molecular Weight502.57 g/mol
Exact Mass502.24
IUPAC Name(1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3[nH]nc(N4CCCc5ncccc54)c3nc1C(F)F)CC2
InChIInChI=1S/C27H28F2N8/c28-23(29)20-25(36-13-9-27(10-14-36)15-16-5-1-2-6-17(16)22(27)30)33-24-21(32-20)26(35-34-24)37-12-4-7-18-19(37)8-3-11-31-18/h1-3,5-6,8,11,22-23H,4,7,9-10,12-15,30H2,(H,33,34,35)/t22-/m1/s1
InChIKeyFRQPHZNFYNVDNR-JOCHJYFZSA-N
XLogP4.61
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155774315) is (1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1nc3[nH]nc(N4CCCc5ncccc54)c3nc1C(F)F)CC2.
What is the InChIKey of (1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is FRQPHZNFYNVDNR-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H28F2N8/c28-23(29)20-25(36-13-9-27(10-14-36)15-16-5-1-2-6-17(16)22(27)30)33-24-21(32-20)26(35-34-24)37-12-4-7-18-19(37)8-3-11-31-18/h1-3,5-6,8,11,22-23H,4,7,9-10,12-15,30H2,(H,33,34,35)/t22-/m1/s1.
What are the key properties of (1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 502.57 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[5-(difluoromethyl)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155774315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).