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

C27H30N8 — CID 155774132

IUPAC(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C27H30N8/c1-17-25(34-14-10-27(11-15-34)16-18-6-2-3-7-19(18)23(27)28)31-24-22(30-17)26(33-32-24)35-13-5-8-20-21(35)9-4-12-29-20/h2-4,6-7,9,12,23H,5,8,10-11,13-16,28H2,1H3,(H,31,32,33)/t23-/m1/s1
InChIKeyNYPNRFLTGZNUKA-HSZRJFAPSA-N
MW466.59 g/mol
LogP3.98
Rot. Bonds2

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

(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155774132) has the molecular formula C27H30N8 and a molecular weight of 466.59 g/mol. Its IUPAC name is (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155774132
Molecular FormulaC27H30N8
Molecular Weight466.59 g/mol
Exact Mass466.26
IUPAC Name(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C27H30N8/c1-17-25(34-14-10-27(11-15-34)16-18-6-2-3-7-19(18)23(27)28)31-24-22(30-17)26(33-32-24)35-13-5-8-20-21(35)9-4-12-29-20/h2-4,6-7,9,12,23H,5,8,10-11,13-16,28H2,1H3,(H,31,32,33)/t23-/m1/s1
InChIKeyNYPNRFLTGZNUKA-HSZRJFAPSA-N
XLogP3.98
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-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'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155774132) is (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[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)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.
What is the InChIKey of (1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is NYPNRFLTGZNUKA-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H30N8/c1-17-25(34-14-10-27(11-15-34)16-18-6-2-3-7-19(18)23(27)28)31-24-22(30-17)26(33-32-24)35-13-5-8-20-21(35)9-4-12-29-20/h2-4,6-7,9,12,23H,5,8,10-11,13-16,28H2,1H3,(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)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 466.59 g/mol, XLogP of 3.98, 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)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155774132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).