1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol

C25H28N6O — CID 148765866

IUPAC1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCCc1ccnc(Cc2nc(Cc3ccn4ccnc4c3)cc(N3CCC(O)CC3)n2)c1
InChIInChI=1S/C25H28N6O/c1-2-18-3-7-26-20(13-18)16-23-28-21(14-19-4-9-31-12-8-27-24(31)15-19)17-25(29-23)30-10-5-22(32)6-11-30/h3-4,7-9,12-13,15,17,22,32H,2,5-6,10-11,14,16H2,1H3
InChIKeyOHLNMOBHXRWABA-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.22
Rot. Bonds6

About 1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol

1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 148765866) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID148765866
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCCc1ccnc(Cc2nc(Cc3ccn4ccnc4c3)cc(N3CCC(O)CC3)n2)c1
InChIInChI=1S/C25H28N6O/c1-2-18-3-7-26-20(13-18)16-23-28-21(14-19-4-9-31-12-8-27-24(31)15-19)17-25(29-23)30-10-5-22(32)6-11-30/h3-4,7-9,12-13,15,17,22,32H,2,5-6,10-11,14,16H2,1H3
InChIKeyOHLNMOBHXRWABA-UHFFFAOYSA-N
XLogP3.22
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol (CID 148765866) is 1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol is CCc1ccnc(Cc2nc(Cc3ccn4ccnc4c3)cc(N3CCC(O)CC3)n2)c1.
What is the InChIKey of 1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is OHLNMOBHXRWABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-2-18-3-7-26-20(13-18)16-23-28-21(14-19-4-9-31-12-8-27-24(31)15-19)17-25(29-23)30-10-5-22(32)6-11-30/h3-4,7-9,12-13,15,17,22,32H,2,5-6,10-11,14,16H2,1H3.
What are the key properties of 1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol?
1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 428.54 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-ethyl-2-pyridinyl)methyl]-6-(imidazo[1,2-a]pyridin-7-ylmethyl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 148765866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).