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

C26H28N8O — CID 149298573

IUPAC(3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
SMILESCc1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N
InChIInChI=1S/C26H28N8O/c1-16-24(33-14-10-26(11-15-33)22(27)17-6-2-3-9-20(17)35-26)30-23-21(29-16)25(32-31-23)34-13-5-7-18-19(34)8-4-12-28-18/h2-4,6,8-9,12,22H,5,7,10-11,13-15,27H2,1H3,(H,30,31,32)/t22-/m1/s1
InChIKeyXWHBYRMHYFFZPV-JOCHJYFZSA-N
MW468.57 g/mol
LogP3.57
Rot. Bonds2

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

(3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (PubChem CID 149298573) has the molecular formula C26H28N8O and a molecular weight of 468.57 g/mol. Its IUPAC name is (3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.

Molecular Properties

Compound Name(3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
PubChem CID149298573
Molecular FormulaC26H28N8O
Molecular Weight468.57 g/mol
Exact Mass468.24
IUPAC Name(3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
SMILESCc1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N
InChIInChI=1S/C26H28N8O/c1-16-24(33-14-10-26(11-15-33)22(27)17-6-2-3-9-20(17)35-26)30-23-21(29-16)25(32-31-23)34-13-5-7-18-19(34)8-4-12-28-18/h2-4,6,8-9,12,22H,5,7,10-11,13-15,27H2,1H3,(H,30,31,32)/t22-/m1/s1
InChIKeyXWHBYRMHYFFZPV-JOCHJYFZSA-N
XLogP3.57
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The IUPAC name of (3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine (CID 149298573) is (3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine.
What is the SMILES notation for (3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The canonical SMILES for (3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is Cc1nc2c(N3CCCc4ncccc43)n[nH]c2nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N.
What is the InChIKey of (3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
The InChIKey is XWHBYRMHYFFZPV-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28N8O/c1-16-24(33-14-10-26(11-15-33)22(27)17-6-2-3-9-20(17)35-26)30-23-21(29-16)25(32-31-23)34-13-5-7-18-19(34)8-4-12-28-18/h2-4,6,8-9,12,22H,5,7,10-11,13-15,27H2,1H3,(H,30,31,32)/t22-/m1/s1.
What are the key properties of (3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine?
(3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine has a molecular weight of 468.57 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine is sourced from PubChem (CID 149298573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).