8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one

C19H22N6O2 — CID 58166970

IUPAC8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one
SMILES[2H]C([2H])([2H])n1ccc2cc(Nc3cnccn3)nc(N[C@H]3CC[C@@H](CO)C3)c2c1=O
InChIInChI=1S/C19H22N6O2/c1-25-7-4-13-9-15(23-16-10-20-5-6-21-16)24-18(17(13)19(25)27)22-14-3-2-12(8-14)11-26/h4-7,9-10,12,14,26H,2-3,8,11H2,1H3,(H2,21,22,23,24)/t12-,14+/m1/s1/i1D3
InChIKeyGIMCXNQKOFYFFZ-NTYUZJTFSA-N
MW369.44 g/mol
LogP2.04
Rot. Bonds6

About 8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one

8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one (PubChem CID 58166970) has the molecular formula C19H22N6O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one
PubChem CID58166970
Molecular FormulaC19H22N6O2
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one
SMILES[2H]C([2H])([2H])n1ccc2cc(Nc3cnccn3)nc(N[C@H]3CC[C@@H](CO)C3)c2c1=O
InChIInChI=1S/C19H22N6O2/c1-25-7-4-13-9-15(23-16-10-20-5-6-21-16)24-18(17(13)19(25)27)22-14-3-2-12(8-14)11-26/h4-7,9-10,12,14,26H,2-3,8,11H2,1H3,(H2,21,22,23,24)/t12-,14+/m1/s1/i1D3
InChIKeyGIMCXNQKOFYFFZ-NTYUZJTFSA-N
XLogP2.04
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one (CID 58166970) is 8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one is [2H]C([2H])([2H])n1ccc2cc(Nc3cnccn3)nc(N[C@H]3CC[C@@H](CO)C3)c2c1=O.
What is the InChIKey of 8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one?
The InChIKey is GIMCXNQKOFYFFZ-NTYUZJTFSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-25-7-4-13-9-15(23-16-10-20-5-6-21-16)24-18(17(13)19(25)27)22-14-3-2-12(8-14)11-26/h4-7,9-10,12,14,26H,2-3,8,11H2,1H3,(H2,21,22,23,24)/t12-,14+/m1/s1/i1D3.
What are the key properties of 8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one?
8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one has a molecular weight of 369.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).