tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C26H30N6O3 — CID 59490454

IUPACtert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2[nH]nc3ncc4c(c23)CCN(C(=O)Nc2ccccc2)C4)CC1
InChIInChI=1S/C26H30N6O3/c1-26(2,3)35-25(34)31-12-9-17(10-13-31)22-21-20-11-14-32(16-18(20)15-27-23(21)30-29-22)24(33)28-19-7-5-4-6-8-19/h4-9,15H,10-14,16H2,1-3H3,(H,28,33)(H,27,29,30)
InChIKeyPWFCXCNOTYODEC-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.57
Rot. Bonds2

About tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 59490454) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID59490454
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Nametert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2[nH]nc3ncc4c(c23)CCN(C(=O)Nc2ccccc2)C4)CC1
InChIInChI=1S/C26H30N6O3/c1-26(2,3)35-25(34)31-12-9-17(10-13-31)22-21-20-11-14-32(16-18(20)15-27-23(21)30-29-22)24(33)28-19-7-5-4-6-8-19/h4-9,15H,10-14,16H2,1-3H3,(H,28,33)(H,27,29,30)
InChIKeyPWFCXCNOTYODEC-UHFFFAOYSA-N
XLogP4.57
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 59490454) is tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2[nH]nc3ncc4c(c23)CCN(C(=O)Nc2ccccc2)C4)CC1.
What is the InChIKey of tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PWFCXCNOTYODEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-26(2,3)35-25(34)31-12-9-17(10-13-31)22-21-20-11-14-32(16-18(20)15-27-23(21)30-29-22)24(33)28-19-7-5-4-6-8-19/h4-9,15H,10-14,16H2,1-3H3,(H,28,33)(H,27,29,30).
What are the key properties of tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 474.57 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[7-(phenylcarbamoyl)-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 59490454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).