8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one

C22H22N6O2S — CID 58094353

IUPAC8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one
SMILESCc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)nc3)n2)cs1
InChIInChI=1S/C22H22N6O2S/c1-13-11-28(7-8-30-13)19-4-3-16(10-24-19)26-21-20-15(5-6-23-22(20)29)9-17(27-21)18-12-31-14(2)25-18/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,23,29)(H,26,27)/t13-/m1/s1
InChIKeyQIFWNXKZUGRDRJ-CYBMUJFWSA-N
MW434.53 g/mol
LogP3.72
Rot. Bonds4

About 8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one

8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one (PubChem CID 58094353) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one
PubChem CID58094353
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one
SMILESCc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)nc3)n2)cs1
InChIInChI=1S/C22H22N6O2S/c1-13-11-28(7-8-30-13)19-4-3-16(10-24-19)26-21-20-15(5-6-23-22(20)29)9-17(27-21)18-12-31-14(2)25-18/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,23,29)(H,26,27)/t13-/m1/s1
InChIKeyQIFWNXKZUGRDRJ-CYBMUJFWSA-N
XLogP3.72
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one (CID 58094353) is 8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one is Cc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)nc3)n2)cs1.
What is the InChIKey of 8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one?
The InChIKey is QIFWNXKZUGRDRJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-13-11-28(7-8-30-13)19-4-3-16(10-24-19)26-21-20-15(5-6-23-22(20)29)9-17(27-21)18-12-31-14(2)25-18/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,23,29)(H,26,27)/t13-/m1/s1.
What are the key properties of 8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one?
8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one has a molecular weight of 434.53 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).