4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine

C43H39N13O2S — CID 135313577

IUPAC4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCSc1cncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.c1cc(-c2nccc3c(-c4ccnc5[nH]ccc45)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C22H19N7O.C21H20N6OS/c1-6-24-22-16(3-7-25-22)14(1)17-13-19(29-9-11-30-12-10-29)27-20-15(17)2-5-23-21(20)18-4-8-26-28-18;1-29-15-10-14(12-22-13-15)17-11-19(27-6-8-28-9-7-27)25-20-16(17)2-4-23-21(20)18-3-5-24-26-18/h1-8,13H,9-12H2,(H,24,25)(H,26,28);2-5,10-13H,6-9H2,1H3,(H,24,26)
InChIKeyGYDBPROFAHKOPX-UHFFFAOYSA-N
MW801.94 g/mol
LogP7.04
Rot. Bonds7

About 4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 135313577) has the molecular formula C43H39N13O2S and a molecular weight of 801.94 g/mol. Its IUPAC name is 4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID135313577
Molecular FormulaC43H39N13O2S
Molecular Weight801.94 g/mol
Exact Mass801.31
IUPAC Name4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCSc1cncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.c1cc(-c2nccc3c(-c4ccnc5[nH]ccc45)cc(N4CCOCC4)nc23)[nH]n1
InChIInChI=1S/C22H19N7O.C21H20N6OS/c1-6-24-22-16(3-7-25-22)14(1)17-13-19(29-9-11-30-12-10-29)27-20-15(17)2-5-23-21(20)18-4-8-26-28-18;1-29-15-10-14(12-22-13-15)17-11-19(27-6-8-28-9-7-27)25-20-16(17)2-4-23-21(20)18-3-5-24-26-18/h1-8,13H,9-12H2,(H,24,25)(H,26,28);2-5,10-13H,6-9H2,1H3,(H,24,26)
InChIKeyGYDBPROFAHKOPX-UHFFFAOYSA-N
XLogP7.04
TPSA175.43 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500801.94
LogP ≤ 57.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine (CID 135313577) is 4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine is CSc1cncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.c1cc(-c2nccc3c(-c4ccnc5[nH]ccc45)cc(N4CCOCC4)nc23)[nH]n1.
What is the InChIKey of 4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is GYDBPROFAHKOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O.C21H20N6OS/c1-6-24-22-16(3-7-25-22)14(1)17-13-19(29-9-11-30-12-10-29)27-20-15(17)2-5-23-21(20)18-4-8-26-28-18;1-29-15-10-14(12-22-13-15)17-11-19(27-6-8-28-9-7-27)25-20-16(17)2-4-23-21(20)18-3-5-24-26-18/h1-8,13H,9-12H2,(H,24,25)(H,26,28);2-5,10-13H,6-9H2,1H3,(H,24,26).
What are the key properties of 4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 801.94 g/mol, XLogP of 7.04, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 135313577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).