1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C17H23N7O — CID 154756863

IUPAC1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc(C2(O)CCCN(Cc3cn4cccnc4n3)C2)nn1
InChIInChI=1S/C17H23N7O/c1-13(2)24-11-15(20-21-24)17(25)5-3-7-22(12-17)9-14-10-23-8-4-6-18-16(23)19-14/h4,6,8,10-11,13,25H,3,5,7,9,12H2,1-2H3
InChIKeyPQLTWJCVKKGFAI-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.39
Rot. Bonds4

About 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 154756863) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID154756863
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc(C2(O)CCCN(Cc3cn4cccnc4n3)C2)nn1
InChIInChI=1S/C17H23N7O/c1-13(2)24-11-15(20-21-24)17(25)5-3-7-22(12-17)9-14-10-23-8-4-6-18-16(23)19-14/h4,6,8,10-11,13,25H,3,5,7,9,12H2,1-2H3
InChIKeyPQLTWJCVKKGFAI-UHFFFAOYSA-N
XLogP1.39
TPSA84.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 154756863) is 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is CC(C)n1cc(C2(O)CCCN(Cc3cn4cccnc4n3)C2)nn1.
What is the InChIKey of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is PQLTWJCVKKGFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-13(2)24-11-15(20-21-24)17(25)5-3-7-22(12-17)9-14-10-23-8-4-6-18-16(23)19-14/h4,6,8,10-11,13,25H,3,5,7,9,12H2,1-2H3.
What are the key properties of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 341.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 154756863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).