4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine

C23H25BrN8 — CID 156725867

IUPAC4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine
SMILESCCN1CCN(Cc2ccc(Nc3nccc(-c4cnc5ccc(Br)cn45)n3)cn2)CC1
InChIInChI=1S/C23H25BrN8/c1-2-30-9-11-31(12-10-30)16-19-5-4-18(13-26-19)28-23-25-8-7-20(29-23)21-14-27-22-6-3-17(24)15-32(21)22/h3-8,13-15H,2,9-12,16H2,1H3,(H,25,28,29)
InChIKeySEBOZQGVQOILJQ-UHFFFAOYSA-N
MW493.41 g/mol
LogP3.83
Rot. Bonds6

About 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine

4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 156725867) has the molecular formula C23H25BrN8 and a molecular weight of 493.41 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID156725867
Molecular FormulaC23H25BrN8
Molecular Weight493.41 g/mol
Exact Mass492.14
IUPAC Name4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine
SMILESCCN1CCN(Cc2ccc(Nc3nccc(-c4cnc5ccc(Br)cn45)n3)cn2)CC1
InChIInChI=1S/C23H25BrN8/c1-2-30-9-11-31(12-10-30)16-19-5-4-18(13-26-19)28-23-25-8-7-20(29-23)21-14-27-22-6-3-17(24)15-32(21)22/h3-8,13-15H,2,9-12,16H2,1H3,(H,25,28,29)
InChIKeySEBOZQGVQOILJQ-UHFFFAOYSA-N
XLogP3.83
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine (CID 156725867) is 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine is CCN1CCN(Cc2ccc(Nc3nccc(-c4cnc5ccc(Br)cn45)n3)cn2)CC1.
What is the InChIKey of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is SEBOZQGVQOILJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN8/c1-2-30-9-11-31(12-10-30)16-19-5-4-18(13-26-19)28-23-25-8-7-20(29-23)21-14-27-22-6-3-17(24)15-32(21)22/h3-8,13-15H,2,9-12,16H2,1H3,(H,25,28,29).
What are the key properties of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine?
4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 493.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 156725867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).