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

C28H32N8O — CID 139512236

IUPAC(1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol
SMILESC[C@H](O)c1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C28H32N8O/c1-17(37)22-26(35-14-10-28(11-15-35)16-18-6-2-3-7-19(18)24(28)29)32-25-23(31-22)27(34-33-25)36-13-5-8-20-21(36)9-4-12-30-20/h2-4,6-7,9,12,17,24,37H,5,8,10-11,13-16,29H2,1H3,(H,32,33,34)/t17-,24+/m0/s1
InChIKeyJSFQOTHYMBHCNB-BXKMTCNYSA-N
MW496.62 g/mol
LogP3.73
Rot. Bonds3

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

(1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol (PubChem CID 139512236) has the molecular formula C28H32N8O and a molecular weight of 496.62 g/mol. Its IUPAC name is (1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol
PubChem CID139512236
Molecular FormulaC28H32N8O
Molecular Weight496.62 g/mol
Exact Mass496.27
IUPAC Name(1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol
SMILESC[C@H](O)c1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C28H32N8O/c1-17(37)22-26(35-14-10-28(11-15-35)16-18-6-2-3-7-19(18)24(28)29)32-25-23(31-22)27(34-33-25)36-13-5-8-20-21(36)9-4-12-30-20/h2-4,6-7,9,12,17,24,37H,5,8,10-11,13-16,29H2,1H3,(H,32,33,34)/t17-,24+/m0/s1
InChIKeyJSFQOTHYMBHCNB-BXKMTCNYSA-N
XLogP3.73
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol?
The IUPAC name of (1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol (CID 139512236) is (1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol is C[C@H](O)c1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.
What is the InChIKey of (1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol?
The InChIKey is JSFQOTHYMBHCNB-BXKMTCNYSA-N. The full InChI is InChI=1S/C28H32N8O/c1-17(37)22-26(35-14-10-28(11-15-35)16-18-6-2-3-7-19(18)24(28)29)32-25-23(31-22)27(34-33-25)36-13-5-8-20-21(36)9-4-12-30-20/h2-4,6-7,9,12,17,24,37H,5,8,10-11,13-16,29H2,1H3,(H,32,33,34)/t17-,24+/m0/s1.
What are the key properties of (1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol?
(1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol has a molecular weight of 496.62 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[4,5-b]pyrazin-5-yl]ethanol is sourced from PubChem (CID 139512236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).