tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C35H43N5O5 — CID 134511037

IUPACtert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3c(CCc4ccc5c(n4)N(C(=O)OC(C)(C)C)CCC5)cccc32)cn1
InChIInChI=1S/C35H43N5O5/c1-34(2,3)44-31(41)20-29(25-15-18-30(43-7)36-21-25)40-28-12-8-10-23(27(28)22-37-40)13-16-26-17-14-24-11-9-19-39(32(24)38-26)33(42)45-35(4,5)6/h8,10,12,14-15,17-18,21-22,29H,9,11,13,16,19-20H2,1-7H3
InChIKeyCNMWQFNIBOLLSX-UHFFFAOYSA-N
MW613.76 g/mol
LogP6.63
Rot. Bonds8

About tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 134511037) has the molecular formula C35H43N5O5 and a molecular weight of 613.76 g/mol. Its IUPAC name is tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID134511037
Molecular FormulaC35H43N5O5
Molecular Weight613.76 g/mol
Exact Mass613.33
IUPAC Nametert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3c(CCc4ccc5c(n4)N(C(=O)OC(C)(C)C)CCC5)cccc32)cn1
InChIInChI=1S/C35H43N5O5/c1-34(2,3)44-31(41)20-29(25-15-18-30(43-7)36-21-25)40-28-12-8-10-23(27(28)22-37-40)13-16-26-17-14-24-11-9-19-39(32(24)38-26)33(42)45-35(4,5)6/h8,10,12,14-15,17-18,21-22,29H,9,11,13,16,19-20H2,1-7H3
InChIKeyCNMWQFNIBOLLSX-UHFFFAOYSA-N
XLogP6.63
TPSA108.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 134511037) is tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3c(CCc4ccc5c(n4)N(C(=O)OC(C)(C)C)CCC5)cccc32)cn1.
What is the InChIKey of tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is CNMWQFNIBOLLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5O5/c1-34(2,3)44-31(41)20-29(25-15-18-30(43-7)36-21-25)40-28-12-8-10-23(27(28)22-37-40)13-16-26-17-14-24-11-9-19-39(32(24)38-26)33(42)45-35(4,5)6/h8,10,12,14-15,17-18,21-22,29H,9,11,13,16,19-20H2,1-7H3.
What are the key properties of tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 613.76 g/mol, XLogP of 6.63, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[2-[1-[1-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazol-4-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 134511037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).