7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one

C23H29N5O2 — CID 148573209

IUPAC7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1cccc2c1C(=O)NC2
InChIInChI=1S/C23H29N5O2/c1-14-20(16-5-2-4-15-12-25-22(30)19(15)16)27-17(13-29)21(26-14)28-10-8-23(9-11-28)7-3-6-18(23)24/h2,4-5,18,29H,3,6-13,24H2,1H3,(H,25,30)/t18-/m1/s1
InChIKeyMXGZIVTXBANDKG-GOSISDBHSA-N
MW407.52 g/mol
LogP2.29
Rot. Bonds3

About 7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one

7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one (PubChem CID 148573209) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one
PubChem CID148573209
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1cccc2c1C(=O)NC2
InChIInChI=1S/C23H29N5O2/c1-14-20(16-5-2-4-15-12-25-22(30)19(15)16)27-17(13-29)21(26-14)28-10-8-23(9-11-28)7-3-6-18(23)24/h2,4-5,18,29H,3,6-13,24H2,1H3,(H,25,30)/t18-/m1/s1
InChIKeyMXGZIVTXBANDKG-GOSISDBHSA-N
XLogP2.29
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one (CID 148573209) is 7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1cccc2c1C(=O)NC2.
What is the InChIKey of 7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is MXGZIVTXBANDKG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-14-20(16-5-2-4-15-12-25-22(30)19(15)16)27-17(13-29)21(26-14)28-10-8-23(9-11-28)7-3-6-18(23)24/h2,4-5,18,29H,3,6-13,24H2,1H3,(H,25,30)/t18-/m1/s1.
What are the key properties of 7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one?
7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 407.52 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 148573209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).