N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate

C18H25BrN4O3 — CID 174677647

IUPACN-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate
SMILESCC(C)(C)OC=O.O=CNc1cccc2c(Br)n(C3CCNCC3)nc12
InChIInChI=1S/C13H15BrN4O.C5H10O2/c14-13-10-2-1-3-11(16-8-19)12(10)17-18(13)9-4-6-15-7-5-9;1-5(2,3)7-4-6/h1-3,8-9,15H,4-7H2,(H,16,19);4H,1-3H3
InChIKeySFJOWOUUMQBENS-UHFFFAOYSA-N
MW425.33 g/mol
LogP3.25
Rot. Bonds4

About N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate

N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate (PubChem CID 174677647) has the molecular formula C18H25BrN4O3 and a molecular weight of 425.33 g/mol. Its IUPAC name is N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate.

Molecular Properties

Compound NameN-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate
PubChem CID174677647
Molecular FormulaC18H25BrN4O3
Molecular Weight425.33 g/mol
Exact Mass424.11
IUPAC NameN-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate
SMILESCC(C)(C)OC=O.O=CNc1cccc2c(Br)n(C3CCNCC3)nc12
InChIInChI=1S/C13H15BrN4O.C5H10O2/c14-13-10-2-1-3-11(16-8-19)12(10)17-18(13)9-4-6-15-7-5-9;1-5(2,3)7-4-6/h1-3,8-9,15H,4-7H2,(H,16,19);4H,1-3H3
InChIKeySFJOWOUUMQBENS-UHFFFAOYSA-N
XLogP3.25
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate?
The IUPAC name of N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate (CID 174677647) is N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate.
What is the SMILES notation for N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate?
The canonical SMILES for N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate is CC(C)(C)OC=O.O=CNc1cccc2c(Br)n(C3CCNCC3)nc12.
What is the InChIKey of N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate?
The InChIKey is SFJOWOUUMQBENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O.C5H10O2/c14-13-10-2-1-3-11(16-8-19)12(10)17-18(13)9-4-6-15-7-5-9;1-5(2,3)7-4-6/h1-3,8-9,15H,4-7H2,(H,16,19);4H,1-3H3.
What are the key properties of N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate?
N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate has a molecular weight of 425.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-piperidin-4-ylindazol-7-yl)formamide;tert-butyl formate is sourced from PubChem (CID 174677647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).