N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide

C22H25N3O3 — CID 24852743

IUPACN-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1nc2c(O)c(CC[C@H](O)c3ccccc3)c(C(=O)NC3CC3)cn2c1C
InChIInChI=1S/C22H25N3O3/c1-13-14(2)25-12-18(22(28)24-16-8-9-16)17(20(27)21(25)23-13)10-11-19(26)15-6-4-3-5-7-15/h3-7,12,16,19,26-27H,8-11H2,1-2H3,(H,24,28)/t19-/m0/s1
InChIKeyGHCSVNVLBMLYCP-IBGZPJMESA-N
MW379.46 g/mol
LogP3.22
Rot. Bonds6

About N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide

N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 24852743) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID24852743
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1nc2c(O)c(CC[C@H](O)c3ccccc3)c(C(=O)NC3CC3)cn2c1C
InChIInChI=1S/C22H25N3O3/c1-13-14(2)25-12-18(22(28)24-16-8-9-16)17(20(27)21(25)23-13)10-11-19(26)15-6-4-3-5-7-15/h3-7,12,16,19,26-27H,8-11H2,1-2H3,(H,24,28)/t19-/m0/s1
InChIKeyGHCSVNVLBMLYCP-IBGZPJMESA-N
XLogP3.22
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide (CID 24852743) is N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide is Cc1nc2c(O)c(CC[C@H](O)c3ccccc3)c(C(=O)NC3CC3)cn2c1C.
What is the InChIKey of N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GHCSVNVLBMLYCP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O3/c1-13-14(2)25-12-18(22(28)24-16-8-9-16)17(20(27)21(25)23-13)10-11-19(26)15-6-4-3-5-7-15/h3-7,12,16,19,26-27H,8-11H2,1-2H3,(H,24,28)/t19-/m0/s1.
What are the key properties of N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-hydroxy-7-[(3S)-3-hydroxy-3-phenylpropyl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 24852743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).