[(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C26H28BrN5O — CID 138562789

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2c(Br)c3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C26H28BrN5O/c1-16-24(25-23(27)20-6-2-3-7-21(20)32(25)14-17-8-9-17)29-22-13-18(10-12-31(16)22)26(33)30-11-4-5-19(28)15-30/h2-3,6-7,10,12-13,17,19H,4-5,8-9,11,14-15,28H2,1H3/t19-/m1/s1
InChIKeyMAOVUGVXBFZYPN-LJQANCHMSA-N
MW506.45 g/mol
LogP5.00
Rot. Bonds4

About [(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138562789) has the molecular formula C26H28BrN5O and a molecular weight of 506.45 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138562789
Molecular FormulaC26H28BrN5O
Molecular Weight506.45 g/mol
Exact Mass505.15
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2c(Br)c3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C26H28BrN5O/c1-16-24(25-23(27)20-6-2-3-7-21(20)32(25)14-17-8-9-17)29-22-13-18(10-12-31(16)22)26(33)30-11-4-5-19(28)15-30/h2-3,6-7,10,12-13,17,19H,4-5,8-9,11,14-15,28H2,1H3/t19-/m1/s1
InChIKeyMAOVUGVXBFZYPN-LJQANCHMSA-N
XLogP5.00
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138562789) is [(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is Cc1c(-c2c(Br)c3ccccc3n2CC2CC2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is MAOVUGVXBFZYPN-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28BrN5O/c1-16-24(25-23(27)20-6-2-3-7-21(20)32(25)14-17-8-9-17)29-22-13-18(10-12-31(16)22)26(33)30-11-4-5-19(28)15-30/h2-3,6-7,10,12-13,17,19H,4-5,8-9,11,14-15,28H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 506.45 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138562789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).