[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone

C24H23N7O2 — CID 70798644

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccn(C2CCN(C(=O)c3cnc4ccc(-c5ccc6oc(N)nc6c5)cn34)CC2)n1
InChIInChI=1S/C24H23N7O2/c1-15-6-11-31(28-15)18-7-9-29(10-8-18)23(32)20-13-26-22-5-3-17(14-30(20)22)16-2-4-21-19(12-16)27-24(25)33-21/h2-6,11-14,18H,7-10H2,1H3,(H2,25,27)
InChIKeyMMELAEVXMCHEQO-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.71
Rot. Bonds3

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 70798644) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID70798644
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccn(C2CCN(C(=O)c3cnc4ccc(-c5ccc6oc(N)nc6c5)cn34)CC2)n1
InChIInChI=1S/C24H23N7O2/c1-15-6-11-31(28-15)18-7-9-29(10-8-18)23(32)20-13-26-22-5-3-17(14-30(20)22)16-2-4-21-19(12-16)27-24(25)33-21/h2-6,11-14,18H,7-10H2,1H3,(H2,25,27)
InChIKeyMMELAEVXMCHEQO-UHFFFAOYSA-N
XLogP3.71
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone (CID 70798644) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone is Cc1ccn(C2CCN(C(=O)c3cnc4ccc(-c5ccc6oc(N)nc6c5)cn34)CC2)n1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is MMELAEVXMCHEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-15-6-11-31(28-15)18-7-9-29(10-8-18)23(32)20-13-26-22-5-3-17(14-30(20)22)16-2-4-21-19(12-16)27-24(25)33-21/h2-6,11-14,18H,7-10H2,1H3,(H2,25,27).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 441.50 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70798644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).