[6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone

C19H19BrClN5O — CID 133271152

IUPAC[6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCc2cn3cc(Br)ccc3n2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H19BrClN5O/c20-14-4-5-17-24-15(12-26(17)11-14)10-23-18-16(21)8-13(9-22-18)19(27)25-6-2-1-3-7-25/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,22,23)
InChIKeyRPVFTDDUJCNPBG-UHFFFAOYSA-N
MW448.75 g/mol
LogP4.38
Rot. Bonds4

About [6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone

[6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133271152) has the molecular formula C19H19BrClN5O and a molecular weight of 448.75 g/mol. Its IUPAC name is [6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133271152
Molecular FormulaC19H19BrClN5O
Molecular Weight448.75 g/mol
Exact Mass447.05
IUPAC Name[6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCc2cn3cc(Br)ccc3n2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H19BrClN5O/c20-14-4-5-17-24-15(12-26(17)11-14)10-23-18-16(21)8-13(9-22-18)19(27)25-6-2-1-3-7-25/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,22,23)
InChIKeyRPVFTDDUJCNPBG-UHFFFAOYSA-N
XLogP4.38
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.75
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
5-chloro-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridine-3-carboxamide
CID 56816532
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974
[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587234
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999240
[5-chloro-6-[(5-chloro-2-methoxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271011
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654

Frequently Asked Questions

What is the IUPAC name of [6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone (CID 133271152) is [6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(NCc2cn3cc(Br)ccc3n2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is RPVFTDDUJCNPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN5O/c20-14-4-5-17-24-15(12-26(17)11-14)10-23-18-16(21)8-13(9-22-18)19(27)25-6-2-1-3-7-25/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,22,23).
What are the key properties of [6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone?
[6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 448.75 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133271152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).