1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C15H15BrN6O — CID 58386482

IUPAC1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1C1CCN(c2ccnc(Br)n2)CC1
InChIInChI=1S/C15H15BrN6O/c16-14-18-7-3-12(19-14)21-8-4-10(5-9-21)22-11-2-1-6-17-13(11)20-15(22)23/h1-3,6-7,10H,4-5,8-9H2,(H,17,20,23)
InChIKeyDDNYUCYUXRCERE-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.12
Rot. Bonds2

About 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 58386482) has the molecular formula C15H15BrN6O and a molecular weight of 375.23 g/mol. Its IUPAC name is 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID58386482
Molecular FormulaC15H15BrN6O
Molecular Weight375.23 g/mol
Exact Mass374.05
IUPAC Name1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1C1CCN(c2ccnc(Br)n2)CC1
InChIInChI=1S/C15H15BrN6O/c16-14-18-7-3-12(19-14)21-8-4-10(5-9-21)22-11-2-1-6-17-13(11)20-15(22)23/h1-3,6-7,10H,4-5,8-9H2,(H,17,20,23)
InChIKeyDDNYUCYUXRCERE-UHFFFAOYSA-N
XLogP2.12
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 58386482) is 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncccc2n1C1CCN(c2ccnc(Br)n2)CC1.
What is the InChIKey of 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is DDNYUCYUXRCERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O/c16-14-18-7-3-12(19-14)21-8-4-10(5-9-21)22-11-2-1-6-17-13(11)20-15(22)23/h1-3,6-7,10H,4-5,8-9H2,(H,17,20,23).
What are the key properties of 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 375.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58386482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).