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

C31H34N10 — CID 155774239

IUPAC(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1nc2c(N3CCCc4nc(-c5cnn(C)c5)ccc43)n[nH]c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C31H34N10/c1-19-29(40-14-11-31(12-15-40)16-20-6-3-4-7-22(20)27(31)32)36-28-26(34-19)30(38-37-28)41-13-5-8-24-25(41)10-9-23(35-24)21-17-33-39(2)18-21/h3-4,6-7,9-10,17-18,27H,5,8,11-16,32H2,1-2H3,(H,36,37,38)/t27-/m1/s1
InChIKeyUFXJEZYOGPBNSK-HHHXNRCGSA-N
MW546.68 g/mol
LogP4.38
Rot. Bonds3

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

(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155774239) has the molecular formula C31H34N10 and a molecular weight of 546.68 g/mol. Its IUPAC name is (1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155774239
Molecular FormulaC31H34N10
Molecular Weight546.68 g/mol
Exact Mass546.30
IUPAC Name(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1nc2c(N3CCCc4nc(-c5cnn(C)c5)ccc43)n[nH]c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C31H34N10/c1-19-29(40-14-11-31(12-15-40)16-20-6-3-4-7-22(20)27(31)32)36-28-26(34-19)30(38-37-28)41-13-5-8-24-25(41)10-9-23(35-24)21-17-33-39(2)18-21/h3-4,6-7,9-10,17-18,27H,5,8,11-16,32H2,1-2H3,(H,36,37,38)/t27-/m1/s1
InChIKeyUFXJEZYOGPBNSK-HHHXNRCGSA-N
XLogP4.38
TPSA117.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.68
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-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'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155774239) is (1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-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'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1nc2c(N3CCCc4nc(-c5cnn(C)c5)ccc43)n[nH]c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.
What is the InChIKey of (1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is UFXJEZYOGPBNSK-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H34N10/c1-19-29(40-14-11-31(12-15-40)16-20-6-3-4-7-22(20)27(31)32)36-28-26(34-19)30(38-37-28)41-13-5-8-24-25(41)10-9-23(35-24)21-17-33-39(2)18-21/h3-4,6-7,9-10,17-18,27H,5,8,11-16,32H2,1-2H3,(H,36,37,38)/t27-/m1/s1.
What are the key properties of (1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 546.68 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155774239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).