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

C26H27FN8 — CID 139512087

IUPAC(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2cccc(F)c2CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2
InChIInChI=1S/C26H27FN8/c27-18-5-1-4-16-17(18)14-26(23(16)28)8-12-34(13-9-26)21-15-30-22-24(31-21)32-33-25(22)35-11-3-6-19-20(35)7-2-10-29-19/h1-2,4-5,7,10,15,23H,3,6,8-9,11-14,28H2,(H,31,32,33)/t23-/m1/s1
InChIKeyCQWJNVUEHQGPNU-HSZRJFAPSA-N
MW470.56 g/mol
LogP3.81
Rot. Bonds2

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

(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 139512087) has the molecular formula C26H27FN8 and a molecular weight of 470.56 g/mol. Its IUPAC name is (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID139512087
Molecular FormulaC26H27FN8
Molecular Weight470.56 g/mol
Exact Mass470.23
IUPAC Name(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2cccc(F)c2CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2
InChIInChI=1S/C26H27FN8/c27-18-5-1-4-16-17(18)14-26(23(16)28)8-12-34(13-9-26)21-15-30-22-24(31-21)32-33-25(22)35-11-3-6-19-20(35)7-2-10-29-19/h1-2,4-5,7,10,15,23H,3,6,8-9,11-14,28H2,(H,31,32,33)/t23-/m1/s1
InChIKeyCQWJNVUEHQGPNU-HSZRJFAPSA-N
XLogP3.81
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49837087
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
CID 71007349
1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine
CID 71254288
N-((5-(3-(5-fluoro-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497849
Ipivivint
CID 136213660
US10934302, Example 142
CID 139512236
3-methyl-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 15979148
9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
CID 15979150
1,2,4-Triazolo[3,4-f][1,6]naphthyridine, 9-phenyl-8-[4-[[4-[5-(2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]phenyl]-
CID 15979276
9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
CID 16091080
7-Benzyl-4-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1H-imidazo[4,5-d]pyridazine
CID 44186526

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 139512087) is (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2cccc(F)c2CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2.
What is the InChIKey of (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is CQWJNVUEHQGPNU-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27FN8/c27-18-5-1-4-16-17(18)14-26(23(16)28)8-12-34(13-9-26)21-15-30-22-24(31-21)32-33-25(22)35-11-3-6-19-20(35)7-2-10-29-19/h1-2,4-5,7,10,15,23H,3,6,8-9,11-14,28H2,(H,31,32,33)/t23-/m1/s1.
What are the key properties of (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 470.56 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 139512087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).