[1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid

C27H28BrN5O3 — CID 138562794

IUPAC[1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid
SMILESCc1c(-c2c(Br)c3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCCC(NC(=O)O)C3)ccn12
InChIInChI=1S/C27H28BrN5O3/c1-16-24(25-23(28)20-6-2-3-7-21(20)33(25)14-17-8-9-17)30-22-13-18(10-12-32(16)22)26(34)31-11-4-5-19(15-31)29-27(35)36/h2-3,6-7,10,12-13,17,19,29H,4-5,8-9,11,14-15H2,1H3,(H,35,36)
InChIKeyBJYASBZXTKKAFE-UHFFFAOYSA-N
MW550.46 g/mol
LogP5.31
Rot. Bonds5

About [1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid

[1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid (PubChem CID 138562794) has the molecular formula C27H28BrN5O3 and a molecular weight of 550.46 g/mol. Its IUPAC name is [1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid
PubChem CID138562794
Molecular FormulaC27H28BrN5O3
Molecular Weight550.46 g/mol
Exact Mass549.14
IUPAC Name[1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid
SMILESCc1c(-c2c(Br)c3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCCC(NC(=O)O)C3)ccn12
InChIInChI=1S/C27H28BrN5O3/c1-16-24(25-23(28)20-6-2-3-7-21(20)33(25)14-17-8-9-17)30-22-13-18(10-12-32(16)22)26(34)31-11-4-5-19(15-31)29-27(35)36/h2-3,6-7,10,12-13,17,19,29H,4-5,8-9,11,14-15H2,1H3,(H,35,36)
InChIKeyBJYASBZXTKKAFE-UHFFFAOYSA-N
XLogP5.31
TPSA91.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.46
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid?
The IUPAC name of [1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid (CID 138562794) is [1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid is Cc1c(-c2c(Br)c3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCCC(NC(=O)O)C3)ccn12.
What is the InChIKey of [1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid?
The InChIKey is BJYASBZXTKKAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28BrN5O3/c1-16-24(25-23(28)20-6-2-3-7-21(20)33(25)14-17-8-9-17)30-22-13-18(10-12-32(16)22)26(34)31-11-4-5-19(15-31)29-27(35)36/h2-3,6-7,10,12-13,17,19,29H,4-5,8-9,11,14-15H2,1H3,(H,35,36).
What are the key properties of [1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid?
[1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid has a molecular weight of 550.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 138562794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).