tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C50H49ClN12O5 — CID 135313126

IUPACtert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ncc(Cl)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1ccc2c(c1)cc(-c1cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc13)n2C(=O)OC(C)(C)C
InChIInChI=1S/C29H30N6O3.C21H19ClN6O2/c1-18-5-6-23-19(15-18)16-24(35(23)28(36)38-29(2,3)4)21-17-25(34-11-13-37-14-12-34)32-26-20(21)7-9-30-27(26)22-8-10-31-33-22;1-29-21-16(10-13(22)12-24-21)15-11-18(28-6-8-30-9-7-28)26-19-14(15)2-4-23-20(19)17-3-5-25-27-17/h5-10,15-17H,11-14H2,1-4H3,(H,31,33);2-5,10-12H,6-9H2,1H3,(H,25,27)
InChIKeySZJLZBCCEMZTHJ-UHFFFAOYSA-N
MW933.47 g/mol
LogP9.15
Rot. Bonds7

About tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 135313126) has the molecular formula C50H49ClN12O5 and a molecular weight of 933.47 g/mol. Its IUPAC name is tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Nametert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID135313126
Molecular FormulaC50H49ClN12O5
Molecular Weight933.47 g/mol
Exact Mass932.36
IUPAC Nametert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ncc(Cl)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1ccc2c(c1)cc(-c1cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc13)n2C(=O)OC(C)(C)C
InChIInChI=1S/C29H30N6O3.C21H19ClN6O2/c1-18-5-6-23-19(15-18)16-24(35(23)28(36)38-29(2,3)4)21-17-25(34-11-13-37-14-12-34)32-26-20(21)7-9-30-27(26)22-8-10-31-33-22;1-29-21-16(10-13(22)12-24-21)15-11-18(28-6-8-30-9-7-28)26-19-14(15)2-4-23-20(19)17-3-5-25-27-17/h5-10,15-17H,11-14H2,1-4H3,(H,31,33);2-5,10-12H,6-9H2,1H3,(H,25,27)
InChIKeySZJLZBCCEMZTHJ-UHFFFAOYSA-N
XLogP9.15
TPSA187.21 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500933.47
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 135313126) is tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1ncc(Cl)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1ccc2c(c1)cc(-c1cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc13)n2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is SZJLZBCCEMZTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O3.C21H19ClN6O2/c1-18-5-6-23-19(15-18)16-24(35(23)28(36)38-29(2,3)4)21-17-25(34-11-13-37-14-12-34)32-26-20(21)7-9-30-27(26)22-8-10-31-33-22;1-29-21-16(10-13(22)12-24-21)15-11-18(28-6-8-30-9-7-28)26-19-14(15)2-4-23-20(19)17-3-5-25-27-17/h5-10,15-17H,11-14H2,1-4H3,(H,31,33);2-5,10-12H,6-9H2,1H3,(H,25,27).
What are the key properties of tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 933.47 g/mol, XLogP of 9.15, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methyl-2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]indole-1-carboxylate;4-[4-(5-chloro-2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 135313126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).