tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate

C27H29N7O3 — CID 67348294

IUPACtert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate
SMILESCn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2c3nc(-c4cccc5[nH]ncc45)ccc3ncc21
InChIInChI=1S/C27H29N7O3/c1-27(2,3)37-26(36)33-12-10-16(11-13-33)34-24-22(32(4)25(34)35)15-28-21-9-8-19(30-23(21)24)17-6-5-7-20-18(17)14-29-31-20/h5-9,14-16H,10-13H2,1-4H3,(H,29,31)
InChIKeyNQWLDPJRJSWISU-UHFFFAOYSA-N
MW499.58 g/mol
LogP4.40
Rot. Bonds2

About tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate (PubChem CID 67348294) has the molecular formula C27H29N7O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate
PubChem CID67348294
Molecular FormulaC27H29N7O3
Molecular Weight499.58 g/mol
Exact Mass499.23
IUPAC Nametert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate
SMILESCn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2c3nc(-c4cccc5[nH]ncc45)ccc3ncc21
InChIInChI=1S/C27H29N7O3/c1-27(2,3)37-26(36)33-12-10-16(11-13-33)34-24-22(32(4)25(34)35)15-28-21-9-8-19(30-23(21)24)17-6-5-7-20-18(17)14-29-31-20/h5-9,14-16H,10-13H2,1-4H3,(H,29,31)
InChIKeyNQWLDPJRJSWISU-UHFFFAOYSA-N
XLogP4.40
TPSA110.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-(1H-indazol-4-yl)-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379657
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
1-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379589
1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 143967375
tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 125461639
tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate;methane
CID 162087529
1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea
CID 67346051
4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide
CID 58379488
tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate
CID 176901245
1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379643
1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379492
tert-butyl 4-(1H-pyrazolo[4,3-c]pyridin-6-yl)piperidine-1-carboxylate
CID 168797532

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate (CID 67348294) is tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate is Cn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2c3nc(-c4cccc5[nH]ncc45)ccc3ncc21.
What is the InChIKey of tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate?
The InChIKey is NQWLDPJRJSWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O3/c1-27(2,3)37-26(36)33-12-10-16(11-13-33)34-24-22(32(4)25(34)35)15-28-21-9-8-19(30-23(21)24)17-6-5-7-20-18(17)14-29-31-20/h5-9,14-16H,10-13H2,1-4H3,(H,29,31).
What are the key properties of tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate has a molecular weight of 499.58 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[8-(1H-indazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 67348294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).