benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate

C28H25N3O5 — CID 68856365

IUPACbenzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate
SMILESCC(Cn1ncc2ccc3oc(C(=O)OCc4ccccc4)cc3c21)NC(=O)OCc1ccccc1
InChIInChI=1S/C28H25N3O5/c1-19(30-28(33)35-18-21-10-6-3-7-11-21)16-31-26-22(15-29-31)12-13-24-23(26)14-25(36-24)27(32)34-17-20-8-4-2-5-9-20/h2-15,19H,16-18H2,1H3,(H,30,33)
InChIKeyCOOMOMXRBJZIBX-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.45
Rot. Bonds8

About benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate

benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate (PubChem CID 68856365) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate
PubChem CID68856365
Molecular FormulaC28H25N3O5
Molecular Weight483.52 g/mol
Exact Mass483.18
IUPAC Namebenzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate
SMILESCC(Cn1ncc2ccc3oc(C(=O)OCc4ccccc4)cc3c21)NC(=O)OCc1ccccc1
InChIInChI=1S/C28H25N3O5/c1-19(30-28(33)35-18-21-10-6-3-7-11-21)16-31-26-22(15-29-31)12-13-24-23(26)14-25(36-24)27(32)34-17-20-8-4-2-5-9-20/h2-15,19H,16-18H2,1H3,(H,30,33)
InChIKeyCOOMOMXRBJZIBX-UHFFFAOYSA-N
XLogP5.45
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-[(2S)-1-(7H-pyrano[2,3-g]indazol-1-yl)propan-2-yl]carbamate
CID 86759655
benzyl N-[1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate
CID 154705981
benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate
CID 154703490
benzyl N-[1-[8-(azidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate
CID 91043743
benzyl N-[(2S)-butan-2-yl]carbamate;(2S)-butan-2-amine;deuterium monohydride
CID 160578481
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate
CID 178146603
benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate
CID 18380110
benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate
CID 102063559
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate?
The IUPAC name of benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate (CID 68856365) is benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate.
What is the SMILES notation for benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate?
The canonical SMILES for benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate is CC(Cn1ncc2ccc3oc(C(=O)OCc4ccccc4)cc3c21)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate?
The InChIKey is COOMOMXRBJZIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-19(30-28(33)35-18-21-10-6-3-7-11-21)16-31-26-22(15-29-31)12-13-24-23(26)14-25(36-24)27(32)34-17-20-8-4-2-5-9-20/h2-15,19H,16-18H2,1H3,(H,30,33).
What are the key properties of benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate?
benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate has a molecular weight of 483.52 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[2-(phenylmethoxycarbonylamino)propyl]furo[2,3-g]indazole-7-carboxylate is sourced from PubChem (CID 68856365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).